USER MOD reduce.3.24.130724 H: found=0, std=0, add=1614, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot 47:sc= -2.13 USER MOD Set 1.2: B 85 LYS NZ :NH3+ 145:sc= -1.26 (180deg=-4.43!) USER MOD Set 2.1: A 15 THR OG1 : rot -140:sc= 0.712 USER MOD Set 2.2: B 15 THR OG1 : rot 144:sc= 0.812 USER MOD Set 3.1: A 85 LYS NZ :NH3+ 137:sc= -1.56 (180deg=-4.78!) USER MOD Set 3.2: B 7 THR OG1 : rot 42:sc= -2.17 USER MOD Single : A 1 MET CE :methyl -121:sc= -2.34! (180deg=-7.77!) USER MOD Single : A 1 MET N :NH3+ -175:sc= -2.73! (180deg=-2.91!) USER MOD Single : A 5 THR OG1 : rot 91:sc= -2.22! USER MOD Single : A 18 SER OG : rot -22:sc= 0.647 USER MOD Single : A 19 THR OG1 : rot -70:sc= -1.25 USER MOD Single : A 22 THR OG1 : rot -105:sc= 1.26 USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= -1.51 (180deg=-1.75) USER MOD Single : A 32 SER OG : rot 118:sc= 0.524 USER MOD Single : A 34 ASN : amide:sc= -2.43! C(o=-2.4!,f=-9.6!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= -0.0206 (180deg=-0.224) USER MOD Single : A 43 THR OG1 : rot -111:sc= 0.265 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -7.5! C(o=-7.5!,f=-13!) USER MOD Single : A 48 HIS : no HD1:sc= -7.2! C(o=-7.2!,f=-8.1!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 158:sc= -0.134 (180deg=-0.745) USER MOD Single : A 61 LYS NZ :NH3+ -169:sc= -0.0239 (180deg=-0.176) USER MOD Single : A 62 THR OG1 : rot 65:sc= 0.519 USER MOD Single : A 66 ASN : amide:sc= -2.17 K(o=-2.2,f=-5.6!) USER MOD Single : A 67 GLN : amide:sc= -5.3! C(o=-5.3!,f=-6.3!) USER MOD Single : A 69 SER OG : rot 164:sc= -1.44 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 57:sc= 0.312 USER MOD Single : A 89 LYS NZ :NH3+ -119:sc= -4.3! (180deg=-11!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -145:sc= -2.55! (180deg=-6.21!) USER MOD Single : B 1 MET N :NH3+ -171:sc= -2.46! (180deg=-2.69!) USER MOD Single : B 5 THR OG1 : rot 110:sc= -1.75! USER MOD Single : B 18 SER OG : rot -24:sc= 0.667 USER MOD Single : B 19 THR OG1 : rot -65:sc= -1.99 USER MOD Single : B 22 THR OG1 : rot -97:sc= 1.23 USER MOD Single : B 30 LYS NZ :NH3+ 145:sc= -1.48 (180deg=-1.82) USER MOD Single : B 32 SER OG : rot 121:sc= 0.492 USER MOD Single : B 34 ASN : amide:sc= -2.57! C(o=-2.6!,f=-10!) USER MOD Single : B 36 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 39 LYS NZ :NH3+ -170:sc=-0.00697 (180deg=-0.131) USER MOD Single : B 43 THR OG1 : rot -135:sc= 0.0745 USER MOD Single : B 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 45 GLN : amide:sc= -6.85! C(o=-6.8!,f=-13!) USER MOD Single : B 48 HIS : no HD1:sc= -7.44! C(o=-7.4!,f=-7.5!) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 MET CE :methyl 157:sc= -0.165 (180deg=-0.798) USER MOD Single : B 61 LYS NZ :NH3+ -170:sc= -0.0133 (180deg=-0.122) USER MOD Single : B 62 THR OG1 : rot 57:sc= 0.494 USER MOD Single : B 66 ASN : amide:sc= -2.46! C(o=-2.5!,f=-6.2!) USER MOD Single : B 67 GLN : amide:sc= -5.12! C(o=-5.1!,f=-6.2!) USER MOD Single : B 69 SER OG : rot 166:sc= -1.65! USER MOD Single : B 74 SER OG : rot -54:sc= 0.492 USER MOD Single : B 76 TYR OH : rot 59:sc= 0.263 USER MOD Single : B 89 LYS NZ :NH3+ -114:sc= -3.84! (180deg=-10.7!) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 LYS NZ :NH3+ -174:sc= 0.0215 (180deg=0.0181) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.635 4.485 -2.692 1.00 0.64 N ATOM 2 CA MET A 1 -17.872 5.737 -2.918 1.00 0.59 C ATOM 3 C MET A 1 -16.509 5.428 -3.524 1.00 0.60 C ATOM 4 O MET A 1 -16.171 4.269 -3.759 1.00 0.61 O ATOM 5 CB MET A 1 -17.664 6.509 -1.608 1.00 0.57 C ATOM 6 CG MET A 1 -18.874 7.314 -1.115 1.00 0.61 C ATOM 7 SD MET A 1 -19.678 8.314 -2.373 1.00 0.96 S ATOM 8 CE MET A 1 -21.269 8.602 -1.596 1.00 1.17 C ATOM 0 H1 MET A 1 -19.592 4.717 -2.358 1.00 0.64 H new ATOM 0 H2 MET A 1 -18.699 3.952 -3.583 1.00 0.64 H new ATOM 0 H3 MET A 1 -18.150 3.907 -1.976 1.00 0.64 H new ATOM 0 HA MET A 1 -18.455 6.351 -3.605 1.00 0.59 H new ATOM 0 HB2 MET A 1 -17.380 5.800 -0.830 1.00 0.57 H new ATOM 0 HB3 MET A 1 -16.824 7.192 -1.739 1.00 0.57 H new ATOM 0 HG2 MET A 1 -19.606 6.623 -0.697 1.00 0.61 H new ATOM 0 HG3 MET A 1 -18.552 7.966 -0.303 1.00 0.61 H new ATOM 0 HE1 MET A 1 -22.062 8.214 -2.236 1.00 1.17 H new ATOM 0 HE2 MET A 1 -21.300 8.095 -0.632 1.00 1.17 H new ATOM 0 HE3 MET A 1 -21.413 9.672 -1.448 1.00 1.17 H new ATOM 20 N ALA A 2 -15.743 6.477 -3.795 1.00 0.62 N ATOM 21 CA ALA A 2 -14.409 6.326 -4.365 1.00 0.65 C ATOM 22 C ALA A 2 -13.327 6.752 -3.399 1.00 0.62 C ATOM 23 O ALA A 2 -13.577 7.456 -2.423 1.00 0.72 O ATOM 24 CB ALA A 2 -14.254 7.110 -5.654 1.00 0.73 C ATOM 0 H ALA A 2 -16.023 7.444 -3.629 1.00 0.62 H new ATOM 0 HA ALA A 2 -14.295 5.263 -4.577 1.00 0.65 H new ATOM 0 HB1 ALA A 2 -13.246 6.971 -6.046 1.00 0.73 H new ATOM 0 HB2 ALA A 2 -14.980 6.755 -6.385 1.00 0.73 H new ATOM 0 HB3 ALA A 2 -14.424 8.169 -5.459 1.00 0.73 H new ATOM 30 N ALA A 3 -12.120 6.304 -3.678 1.00 0.73 N ATOM 31 CA ALA A 3 -10.984 6.664 -2.867 1.00 0.76 C ATOM 32 C ALA A 3 -10.355 7.934 -3.403 1.00 0.66 C ATOM 33 O ALA A 3 -9.354 7.897 -4.118 1.00 0.81 O ATOM 34 CB ALA A 3 -9.974 5.540 -2.840 1.00 1.06 C ATOM 0 H ALA A 3 -11.904 5.689 -4.463 1.00 0.73 H new ATOM 0 HA ALA A 3 -11.320 6.841 -1.845 1.00 0.76 H new ATOM 0 HB1 ALA A 3 -9.123 5.830 -2.223 1.00 1.06 H new ATOM 0 HB2 ALA A 3 -10.436 4.645 -2.423 1.00 1.06 H new ATOM 0 HB3 ALA A 3 -9.633 5.333 -3.854 1.00 1.06 H new ATOM 40 N GLU A 4 -10.958 9.058 -3.055 1.00 0.63 N ATOM 41 CA GLU A 4 -10.451 10.351 -3.501 1.00 0.75 C ATOM 42 C GLU A 4 -9.098 10.601 -2.865 1.00 0.74 C ATOM 43 O GLU A 4 -8.066 10.278 -3.452 1.00 0.85 O ATOM 44 CB GLU A 4 -11.416 11.509 -3.185 1.00 0.97 C ATOM 45 CG GLU A 4 -12.584 11.165 -2.266 1.00 1.44 C ATOM 46 CD GLU A 4 -12.136 10.720 -0.891 1.00 2.42 C ATOM 47 OE1 GLU A 4 -11.707 11.584 -0.101 1.00 3.03 O ATOM 48 OE2 GLU A 4 -12.195 9.506 -0.615 1.00 3.20 O ATOM 0 H GLU A 4 -11.792 9.105 -2.470 1.00 0.63 H new ATOM 0 HA GLU A 4 -10.356 10.316 -4.586 1.00 0.75 H new ATOM 0 HB2 GLU A 4 -10.846 12.319 -2.730 1.00 0.97 H new ATOM 0 HB3 GLU A 4 -11.817 11.890 -4.124 1.00 0.97 H new ATOM 0 HG2 GLU A 4 -13.232 12.036 -2.168 1.00 1.44 H new ATOM 0 HG3 GLU A 4 -13.179 10.374 -2.723 1.00 1.44 H new ATOM 55 N THR A 5 -9.090 11.168 -1.674 1.00 0.69 N ATOM 56 CA THR A 5 -7.848 11.414 -0.989 1.00 0.74 C ATOM 57 C THR A 5 -7.243 10.112 -0.430 1.00 0.61 C ATOM 58 O THR A 5 -7.296 9.075 -1.089 1.00 0.78 O ATOM 59 CB THR A 5 -8.033 12.438 0.119 1.00 0.93 C ATOM 60 OG1 THR A 5 -9.056 13.371 -0.246 1.00 1.43 O ATOM 61 CG2 THR A 5 -6.702 13.138 0.365 1.00 1.09 C ATOM 0 H THR A 5 -9.926 11.463 -1.169 1.00 0.69 H new ATOM 0 HA THR A 5 -7.147 11.819 -1.719 1.00 0.74 H new ATOM 0 HB THR A 5 -8.348 11.948 1.040 1.00 0.93 H new ATOM 0 HG1 THR A 5 -9.923 13.049 0.078 1.00 1.43 H new ATOM 0 HG21 THR A 5 -6.820 13.876 1.158 1.00 1.09 H new ATOM 0 HG22 THR A 5 -5.954 12.403 0.662 1.00 1.09 H new ATOM 0 HG23 THR A 5 -6.379 13.636 -0.549 1.00 1.09 H new ATOM 69 N LEU A 6 -6.672 10.165 0.782 1.00 0.54 N ATOM 70 CA LEU A 6 -6.048 9.013 1.392 1.00 0.50 C ATOM 71 C LEU A 6 -7.066 8.201 2.150 1.00 0.49 C ATOM 72 O LEU A 6 -7.610 8.657 3.155 1.00 0.56 O ATOM 73 CB LEU A 6 -4.944 9.443 2.371 1.00 0.61 C ATOM 74 CG LEU A 6 -4.445 10.880 2.240 1.00 0.75 C ATOM 75 CD1 LEU A 6 -5.327 11.842 3.028 1.00 1.15 C ATOM 76 CD2 LEU A 6 -3.012 10.980 2.726 1.00 1.07 C ATOM 0 H LEU A 6 -6.637 11.009 1.353 1.00 0.54 H new ATOM 0 HA LEU A 6 -5.614 8.413 0.592 1.00 0.50 H new ATOM 0 HB2 LEU A 6 -5.313 9.300 3.387 1.00 0.61 H new ATOM 0 HB3 LEU A 6 -4.094 8.773 2.244 1.00 0.61 H new ATOM 0 HG LEU A 6 -4.490 11.159 1.187 1.00 0.75 H new ATOM 0 HD11 LEU A 6 -4.948 12.858 2.916 1.00 1.15 H new ATOM 0 HD12 LEU A 6 -6.348 11.792 2.650 1.00 1.15 H new ATOM 0 HD13 LEU A 6 -5.317 11.565 4.082 1.00 1.15 H new ATOM 0 HD21 LEU A 6 -2.666 12.009 2.628 1.00 1.07 H new ATOM 0 HD22 LEU A 6 -2.961 10.678 3.772 1.00 1.07 H new ATOM 0 HD23 LEU A 6 -2.378 10.326 2.128 1.00 1.07 H new ATOM 88 N THR A 7 -7.333 7.002 1.677 1.00 0.50 N ATOM 89 CA THR A 7 -8.265 6.147 2.375 1.00 0.54 C ATOM 90 C THR A 7 -7.712 5.870 3.751 1.00 0.48 C ATOM 91 O THR A 7 -6.541 6.128 3.993 1.00 0.54 O ATOM 92 CB THR A 7 -8.483 4.795 1.664 1.00 0.62 C ATOM 93 OG1 THR A 7 -7.321 4.448 0.903 1.00 0.85 O ATOM 94 CG2 THR A 7 -9.697 4.817 0.755 1.00 0.83 C ATOM 0 H THR A 7 -6.927 6.605 0.830 1.00 0.50 H new ATOM 0 HA THR A 7 -9.225 6.663 2.410 1.00 0.54 H new ATOM 0 HB THR A 7 -8.659 4.047 2.437 1.00 0.62 H new ATOM 0 HG1 THR A 7 -6.520 4.579 1.451 1.00 0.85 H new ATOM 0 HG21 THR A 7 -9.811 3.844 0.276 1.00 0.83 H new ATOM 0 HG22 THR A 7 -10.588 5.038 1.343 1.00 0.83 H new ATOM 0 HG23 THR A 7 -9.566 5.584 -0.008 1.00 0.83 H new ATOM 102 N GLU A 8 -8.531 5.333 4.652 1.00 0.45 N ATOM 103 CA GLU A 8 -8.061 5.000 6.003 1.00 0.44 C ATOM 104 C GLU A 8 -6.668 4.365 5.954 1.00 0.41 C ATOM 105 O GLU A 8 -5.893 4.449 6.906 1.00 0.42 O ATOM 106 CB GLU A 8 -9.032 4.056 6.698 1.00 0.50 C ATOM 107 CG GLU A 8 -10.473 4.522 6.641 1.00 0.52 C ATOM 108 CD GLU A 8 -11.388 3.704 7.532 1.00 1.09 C ATOM 109 OE1 GLU A 8 -11.093 3.590 8.740 1.00 1.67 O ATOM 110 OE2 GLU A 8 -12.398 3.178 7.021 1.00 1.94 O ATOM 0 H GLU A 8 -9.513 5.119 4.479 1.00 0.45 H new ATOM 0 HA GLU A 8 -8.005 5.928 6.572 1.00 0.44 H new ATOM 0 HB2 GLU A 8 -8.959 3.070 6.239 1.00 0.50 H new ATOM 0 HB3 GLU A 8 -8.735 3.945 7.741 1.00 0.50 H new ATOM 0 HG2 GLU A 8 -10.524 5.569 6.939 1.00 0.52 H new ATOM 0 HG3 GLU A 8 -10.829 4.465 5.612 1.00 0.52 H new ATOM 117 N LEU A 9 -6.374 3.729 4.824 1.00 0.41 N ATOM 118 CA LEU A 9 -5.094 3.100 4.587 1.00 0.40 C ATOM 119 C LEU A 9 -3.956 4.063 4.898 1.00 0.38 C ATOM 120 O LEU A 9 -2.849 3.645 5.234 1.00 0.39 O ATOM 121 CB LEU A 9 -5.036 2.682 3.120 1.00 0.45 C ATOM 122 CG LEU A 9 -6.304 2.007 2.576 1.00 0.57 C ATOM 123 CD1 LEU A 9 -6.000 1.183 1.339 1.00 0.93 C ATOM 124 CD2 LEU A 9 -6.983 1.161 3.645 1.00 0.92 C ATOM 0 H LEU A 9 -7.027 3.639 4.046 1.00 0.41 H new ATOM 0 HA LEU A 9 -4.984 2.231 5.236 1.00 0.40 H new ATOM 0 HB2 LEU A 9 -4.828 3.565 2.516 1.00 0.45 H new ATOM 0 HB3 LEU A 9 -4.196 2.000 2.987 1.00 0.45 H new ATOM 0 HG LEU A 9 -6.998 2.796 2.288 1.00 0.57 H new ATOM 0 HD11 LEU A 9 -6.917 0.718 0.977 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -5.591 1.829 0.563 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -5.274 0.409 1.587 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -7.877 0.697 3.228 1.00 0.92 H new ATOM 0 HD22 LEU A 9 -6.297 0.386 3.986 1.00 0.92 H new ATOM 0 HD23 LEU A 9 -7.262 1.794 4.487 1.00 0.92 H new ATOM 136 N GLU A 10 -4.240 5.361 4.802 1.00 0.38 N ATOM 137 CA GLU A 10 -3.239 6.378 5.098 1.00 0.39 C ATOM 138 C GLU A 10 -2.660 6.116 6.479 1.00 0.38 C ATOM 139 O GLU A 10 -1.465 6.277 6.712 1.00 0.40 O ATOM 140 CB GLU A 10 -3.849 7.774 5.037 1.00 0.46 C ATOM 141 CG GLU A 10 -5.269 7.841 5.553 1.00 0.45 C ATOM 142 CD GLU A 10 -5.456 8.902 6.620 1.00 0.56 C ATOM 143 OE1 GLU A 10 -5.625 10.085 6.258 1.00 1.16 O ATOM 144 OE2 GLU A 10 -5.429 8.551 7.818 1.00 1.27 O ATOM 0 H GLU A 10 -5.150 5.729 4.523 1.00 0.38 H new ATOM 0 HA GLU A 10 -2.447 6.327 4.351 1.00 0.39 H new ATOM 0 HB2 GLU A 10 -3.229 8.457 5.617 1.00 0.46 H new ATOM 0 HB3 GLU A 10 -3.830 8.124 4.005 1.00 0.46 H new ATOM 0 HG2 GLU A 10 -5.944 8.045 4.722 1.00 0.45 H new ATOM 0 HG3 GLU A 10 -5.549 6.869 5.960 1.00 0.45 H new ATOM 151 N ALA A 11 -3.535 5.705 7.394 1.00 0.39 N ATOM 152 CA ALA A 11 -3.120 5.376 8.749 1.00 0.39 C ATOM 153 C ALA A 11 -2.080 4.276 8.698 1.00 0.36 C ATOM 154 O ALA A 11 -1.147 4.240 9.501 1.00 0.39 O ATOM 155 CB ALA A 11 -4.318 4.947 9.584 1.00 0.42 C ATOM 0 H ALA A 11 -4.534 5.593 7.219 1.00 0.39 H new ATOM 0 HA ALA A 11 -2.685 6.258 9.219 1.00 0.39 H new ATOM 0 HB1 ALA A 11 -3.989 4.705 10.595 1.00 0.42 H new ATOM 0 HB2 ALA A 11 -5.044 5.759 9.624 1.00 0.42 H new ATOM 0 HB3 ALA A 11 -4.780 4.069 9.133 1.00 0.42 H new ATOM 161 N ALA A 12 -2.253 3.373 7.739 1.00 0.33 N ATOM 162 CA ALA A 12 -1.318 2.282 7.544 1.00 0.33 C ATOM 163 C ALA A 12 0.000 2.827 7.018 1.00 0.33 C ATOM 164 O ALA A 12 1.052 2.216 7.202 1.00 0.34 O ATOM 165 CB ALA A 12 -1.893 1.248 6.587 1.00 0.34 C ATOM 0 H ALA A 12 -3.036 3.379 7.085 1.00 0.33 H new ATOM 0 HA ALA A 12 -1.141 1.791 8.501 1.00 0.33 H new ATOM 0 HB1 ALA A 12 -1.176 0.437 6.454 1.00 0.34 H new ATOM 0 HB2 ALA A 12 -2.820 0.849 6.997 1.00 0.34 H new ATOM 0 HB3 ALA A 12 -2.094 1.716 5.624 1.00 0.34 H new ATOM 171 N ILE A 13 -0.063 3.993 6.365 1.00 0.36 N ATOM 172 CA ILE A 13 1.131 4.628 5.826 1.00 0.40 C ATOM 173 C ILE A 13 2.200 4.719 6.917 1.00 0.39 C ATOM 174 O ILE A 13 3.397 4.645 6.644 1.00 0.42 O ATOM 175 CB ILE A 13 0.818 6.036 5.230 1.00 0.47 C ATOM 176 CG1 ILE A 13 1.687 6.287 3.993 1.00 0.90 C ATOM 177 CG2 ILE A 13 1.007 7.165 6.246 1.00 0.99 C ATOM 178 CD1 ILE A 13 3.135 6.585 4.318 1.00 2.05 C ATOM 0 H ILE A 13 -0.927 4.509 6.201 1.00 0.36 H new ATOM 0 HA ILE A 13 1.507 4.015 5.007 1.00 0.40 H new ATOM 0 HB ILE A 13 -0.235 6.037 4.948 1.00 0.47 H new ATOM 0 HG12 ILE A 13 1.642 5.412 3.344 1.00 0.90 H new ATOM 0 HG13 ILE A 13 1.270 7.123 3.431 1.00 0.90 H new ATOM 0 HG21 ILE A 13 0.775 8.120 5.775 1.00 0.99 H new ATOM 0 HG22 ILE A 13 0.341 7.007 7.094 1.00 0.99 H new ATOM 0 HG23 ILE A 13 2.040 7.173 6.593 1.00 0.99 H new ATOM 0 HD11 ILE A 13 3.688 6.752 3.394 1.00 2.05 H new ATOM 0 HD12 ILE A 13 3.192 7.478 4.941 1.00 2.05 H new ATOM 0 HD13 ILE A 13 3.569 5.741 4.853 1.00 2.05 H new ATOM 190 N GLU A 14 1.732 4.869 8.157 1.00 0.39 N ATOM 191 CA GLU A 14 2.609 4.979 9.317 1.00 0.42 C ATOM 192 C GLU A 14 3.374 3.684 9.564 1.00 0.38 C ATOM 193 O GLU A 14 4.559 3.712 9.895 1.00 0.46 O ATOM 194 CB GLU A 14 1.797 5.347 10.560 1.00 0.46 C ATOM 195 CG GLU A 14 1.133 6.711 10.470 1.00 0.79 C ATOM 196 CD GLU A 14 0.402 7.089 11.744 1.00 1.46 C ATOM 197 OE1 GLU A 14 -0.792 6.744 11.868 1.00 2.02 O ATOM 198 OE2 GLU A 14 1.024 7.730 12.617 1.00 2.25 O ATOM 0 H GLU A 14 0.738 4.917 8.382 1.00 0.39 H new ATOM 0 HA GLU A 14 3.334 5.766 9.111 1.00 0.42 H new ATOM 0 HB2 GLU A 14 1.031 4.589 10.721 1.00 0.46 H new ATOM 0 HB3 GLU A 14 2.452 5.328 11.431 1.00 0.46 H new ATOM 0 HG2 GLU A 14 1.889 7.465 10.252 1.00 0.79 H new ATOM 0 HG3 GLU A 14 0.430 6.714 9.637 1.00 0.79 H new ATOM 205 N THR A 15 2.700 2.546 9.413 1.00 0.30 N ATOM 206 CA THR A 15 3.362 1.262 9.622 1.00 0.28 C ATOM 207 C THR A 15 4.398 1.034 8.534 1.00 0.29 C ATOM 208 O THR A 15 5.585 0.859 8.806 1.00 0.35 O ATOM 209 CB THR A 15 2.368 0.085 9.612 1.00 0.28 C ATOM 210 OG1 THR A 15 1.358 0.277 10.610 1.00 0.29 O ATOM 211 CG2 THR A 15 3.090 -1.230 9.864 1.00 0.32 C ATOM 0 H THR A 15 1.716 2.486 9.152 1.00 0.30 H new ATOM 0 HA THR A 15 3.835 1.301 10.603 1.00 0.28 H new ATOM 0 HB THR A 15 1.898 0.047 8.629 1.00 0.28 H new ATOM 0 HG1 THR A 15 1.161 -0.579 11.045 1.00 0.29 H new ATOM 0 HG21 THR A 15 2.370 -2.048 9.853 1.00 0.32 H new ATOM 0 HG22 THR A 15 3.835 -1.391 9.085 1.00 0.32 H new ATOM 0 HG23 THR A 15 3.583 -1.194 10.835 1.00 0.32 H new ATOM 219 N VAL A 16 3.926 1.054 7.298 1.00 0.27 N ATOM 220 CA VAL A 16 4.769 0.859 6.130 1.00 0.28 C ATOM 221 C VAL A 16 5.910 1.870 6.082 1.00 0.30 C ATOM 222 O VAL A 16 7.020 1.542 5.663 1.00 0.36 O ATOM 223 CB VAL A 16 3.927 0.982 4.853 1.00 0.30 C ATOM 224 CG1 VAL A 16 3.239 2.331 4.817 1.00 0.33 C ATOM 225 CG2 VAL A 16 4.774 0.788 3.609 1.00 0.33 C ATOM 0 H VAL A 16 2.942 1.207 7.076 1.00 0.27 H new ATOM 0 HA VAL A 16 5.202 -0.139 6.198 1.00 0.28 H new ATOM 0 HB VAL A 16 3.174 0.194 4.866 1.00 0.30 H new ATOM 0 HG11 VAL A 16 2.643 2.411 3.908 1.00 0.33 H new ATOM 0 HG12 VAL A 16 2.590 2.432 5.687 1.00 0.33 H new ATOM 0 HG13 VAL A 16 3.989 3.122 4.831 1.00 0.33 H new ATOM 0 HG21 VAL A 16 4.146 0.882 2.723 1.00 0.33 H new ATOM 0 HG22 VAL A 16 5.557 1.546 3.580 1.00 0.33 H new ATOM 0 HG23 VAL A 16 5.228 -0.203 3.629 1.00 0.33 H new ATOM 235 N VAL A 17 5.639 3.099 6.509 1.00 0.31 N ATOM 236 CA VAL A 17 6.660 4.138 6.493 1.00 0.33 C ATOM 237 C VAL A 17 7.606 3.998 7.683 1.00 0.30 C ATOM 238 O VAL A 17 8.822 4.137 7.544 1.00 0.32 O ATOM 239 CB VAL A 17 6.045 5.554 6.493 1.00 0.43 C ATOM 240 CG1 VAL A 17 5.423 5.888 7.843 1.00 0.45 C ATOM 241 CG2 VAL A 17 7.097 6.589 6.117 1.00 0.50 C ATOM 0 H VAL A 17 4.731 3.397 6.866 1.00 0.31 H new ATOM 0 HA VAL A 17 7.221 4.007 5.568 1.00 0.33 H new ATOM 0 HB VAL A 17 5.251 5.575 5.747 1.00 0.43 H new ATOM 0 HG11 VAL A 17 4.999 6.892 7.810 1.00 0.45 H new ATOM 0 HG12 VAL A 17 4.636 5.169 8.069 1.00 0.45 H new ATOM 0 HG13 VAL A 17 6.189 5.843 8.617 1.00 0.45 H new ATOM 0 HG21 VAL A 17 6.648 7.582 6.121 1.00 0.50 H new ATOM 0 HG22 VAL A 17 7.913 6.557 6.838 1.00 0.50 H new ATOM 0 HG23 VAL A 17 7.483 6.370 5.122 1.00 0.50 H new ATOM 251 N SER A 18 7.040 3.725 8.852 1.00 0.33 N ATOM 252 CA SER A 18 7.835 3.571 10.062 1.00 0.40 C ATOM 253 C SER A 18 8.478 2.186 10.140 1.00 0.44 C ATOM 254 O SER A 18 9.217 1.893 11.077 1.00 0.59 O ATOM 255 CB SER A 18 6.971 3.814 11.302 1.00 0.51 C ATOM 256 OG SER A 18 7.727 3.652 12.490 1.00 1.32 O ATOM 0 H SER A 18 6.036 3.606 8.987 1.00 0.33 H new ATOM 0 HA SER A 18 8.633 4.313 10.027 1.00 0.40 H new ATOM 0 HB2 SER A 18 6.554 4.820 11.267 1.00 0.51 H new ATOM 0 HB3 SER A 18 6.130 3.120 11.305 1.00 0.51 H new ATOM 0 HG SER A 18 8.510 3.092 12.306 1.00 1.32 H new ATOM 262 N THR A 19 8.140 1.313 9.201 1.00 0.37 N ATOM 263 CA THR A 19 8.722 -0.025 9.163 1.00 0.44 C ATOM 264 C THR A 19 10.050 -0.101 8.383 1.00 0.46 C ATOM 265 O THR A 19 11.131 0.097 8.939 1.00 0.54 O ATOM 266 CB THR A 19 7.722 -1.068 8.607 1.00 0.45 C ATOM 267 OG1 THR A 19 7.012 -0.550 7.462 1.00 0.42 O ATOM 268 CG2 THR A 19 6.726 -1.486 9.682 1.00 0.49 C ATOM 0 H THR A 19 7.469 1.504 8.457 1.00 0.37 H new ATOM 0 HA THR A 19 8.949 -0.265 10.202 1.00 0.44 H new ATOM 0 HB THR A 19 8.297 -1.940 8.295 1.00 0.45 H new ATOM 0 HG1 THR A 19 6.397 0.156 7.751 1.00 0.42 H new ATOM 0 HG21 THR A 19 6.033 -2.219 9.270 1.00 0.49 H new ATOM 0 HG22 THR A 19 7.262 -1.926 10.523 1.00 0.49 H new ATOM 0 HG23 THR A 19 6.170 -0.612 10.023 1.00 0.49 H new ATOM 276 N PHE A 20 9.933 -0.394 7.088 1.00 0.45 N ATOM 277 CA PHE A 20 11.056 -0.575 6.172 1.00 0.54 C ATOM 278 C PHE A 20 11.562 0.752 5.652 1.00 0.52 C ATOM 279 O PHE A 20 12.766 0.985 5.548 1.00 0.64 O ATOM 280 CB PHE A 20 10.571 -1.483 5.025 1.00 0.60 C ATOM 281 CG PHE A 20 11.197 -1.250 3.676 1.00 0.72 C ATOM 282 CD1 PHE A 20 12.568 -1.286 3.514 1.00 1.60 C ATOM 283 CD2 PHE A 20 10.400 -0.997 2.569 1.00 1.26 C ATOM 284 CE1 PHE A 20 13.135 -1.078 2.277 1.00 1.77 C ATOM 285 CE2 PHE A 20 10.964 -0.785 1.330 1.00 1.37 C ATOM 286 CZ PHE A 20 12.332 -0.828 1.183 1.00 1.18 C ATOM 0 H PHE A 20 9.027 -0.515 6.635 1.00 0.45 H new ATOM 0 HA PHE A 20 11.897 -1.038 6.689 1.00 0.54 H new ATOM 0 HB2 PHE A 20 10.751 -2.519 5.311 1.00 0.60 H new ATOM 0 HB3 PHE A 20 9.492 -1.362 4.926 1.00 0.60 H new ATOM 0 HD1 PHE A 20 13.202 -1.479 4.367 1.00 1.60 H new ATOM 0 HD2 PHE A 20 9.326 -0.966 2.680 1.00 1.26 H new ATOM 0 HE1 PHE A 20 14.208 -1.110 2.163 1.00 1.77 H new ATOM 0 HE2 PHE A 20 10.334 -0.585 0.476 1.00 1.37 H new ATOM 0 HZ PHE A 20 12.777 -0.666 0.212 1.00 1.18 H new ATOM 296 N PHE A 21 10.626 1.610 5.335 1.00 0.44 N ATOM 297 CA PHE A 21 10.933 2.912 4.807 1.00 0.47 C ATOM 298 C PHE A 21 11.811 3.688 5.770 1.00 0.49 C ATOM 299 O PHE A 21 12.459 4.659 5.392 1.00 0.62 O ATOM 300 CB PHE A 21 9.623 3.642 4.522 1.00 0.48 C ATOM 301 CG PHE A 21 8.781 2.991 3.440 1.00 0.45 C ATOM 302 CD1 PHE A 21 9.261 1.900 2.724 1.00 1.39 C ATOM 303 CD2 PHE A 21 7.501 3.456 3.153 1.00 1.16 C ATOM 304 CE1 PHE A 21 8.485 1.291 1.757 1.00 1.44 C ATOM 305 CE2 PHE A 21 6.727 2.847 2.186 1.00 1.13 C ATOM 306 CZ PHE A 21 7.216 1.763 1.491 1.00 0.54 C ATOM 0 H PHE A 21 9.628 1.424 5.436 1.00 0.44 H new ATOM 0 HA PHE A 21 11.495 2.816 3.878 1.00 0.47 H new ATOM 0 HB2 PHE A 21 9.040 3.694 5.441 1.00 0.48 H new ATOM 0 HB3 PHE A 21 9.846 4.668 4.228 1.00 0.48 H new ATOM 0 HD1 PHE A 21 10.253 1.524 2.926 1.00 1.39 H new ATOM 0 HD2 PHE A 21 7.108 4.304 3.694 1.00 1.16 H new ATOM 0 HE1 PHE A 21 8.872 0.445 1.209 1.00 1.44 H new ATOM 0 HE2 PHE A 21 5.736 3.221 1.974 1.00 1.13 H new ATOM 0 HZ PHE A 21 6.607 1.283 0.739 1.00 0.54 H new ATOM 316 N THR A 22 11.842 3.257 7.017 1.00 0.47 N ATOM 317 CA THR A 22 12.680 3.925 8.001 1.00 0.54 C ATOM 318 C THR A 22 14.131 3.960 7.543 1.00 0.49 C ATOM 319 O THR A 22 14.910 4.814 7.969 1.00 0.54 O ATOM 320 CB THR A 22 12.628 3.205 9.345 1.00 0.66 C ATOM 321 OG1 THR A 22 13.187 1.905 9.206 1.00 0.66 O ATOM 322 CG2 THR A 22 11.209 3.108 9.836 1.00 0.81 C ATOM 0 H THR A 22 11.308 2.463 7.370 1.00 0.47 H new ATOM 0 HA THR A 22 12.296 4.940 8.109 1.00 0.54 H new ATOM 0 HB THR A 22 13.205 3.772 10.075 1.00 0.66 H new ATOM 0 HG1 THR A 22 12.469 1.238 9.207 1.00 0.66 H new ATOM 0 HG21 THR A 22 11.191 2.592 10.796 1.00 0.81 H new ATOM 0 HG22 THR A 22 10.796 4.110 9.955 1.00 0.81 H new ATOM 0 HG23 THR A 22 10.611 2.552 9.114 1.00 0.81 H new ATOM 330 N PHE A 23 14.488 3.021 6.668 1.00 0.49 N ATOM 331 CA PHE A 23 15.861 2.917 6.195 1.00 0.51 C ATOM 332 C PHE A 23 16.282 4.165 5.410 1.00 0.44 C ATOM 333 O PHE A 23 17.467 4.390 5.177 1.00 0.45 O ATOM 334 CB PHE A 23 16.055 1.584 5.440 1.00 0.68 C ATOM 335 CG PHE A 23 16.168 1.641 3.948 1.00 0.61 C ATOM 336 CD1 PHE A 23 17.220 2.298 3.328 1.00 1.47 C ATOM 337 CD2 PHE A 23 15.241 0.985 3.163 1.00 1.46 C ATOM 338 CE1 PHE A 23 17.334 2.308 1.960 1.00 1.88 C ATOM 339 CE2 PHE A 23 15.357 0.987 1.793 1.00 1.93 C ATOM 340 CZ PHE A 23 16.403 1.650 1.194 1.00 1.82 C ATOM 0 H PHE A 23 13.849 2.328 6.277 1.00 0.49 H new ATOM 0 HA PHE A 23 16.543 2.889 7.045 1.00 0.51 H new ATOM 0 HB2 PHE A 23 16.956 1.107 5.827 1.00 0.68 H new ATOM 0 HB3 PHE A 23 15.217 0.932 5.689 1.00 0.68 H new ATOM 0 HD1 PHE A 23 17.959 2.808 3.929 1.00 1.47 H new ATOM 0 HD2 PHE A 23 14.417 0.465 3.629 1.00 1.46 H new ATOM 0 HE1 PHE A 23 18.152 2.831 1.488 1.00 1.88 H new ATOM 0 HE2 PHE A 23 14.628 0.469 1.188 1.00 1.93 H new ATOM 0 HZ PHE A 23 16.492 1.653 0.118 1.00 1.82 H new ATOM 350 N ALA A 24 15.311 5.018 5.065 1.00 0.50 N ATOM 351 CA ALA A 24 15.596 6.276 4.360 1.00 0.58 C ATOM 352 C ALA A 24 16.791 6.969 4.990 1.00 0.60 C ATOM 353 O ALA A 24 17.660 7.520 4.314 1.00 0.65 O ATOM 354 CB ALA A 24 14.394 7.203 4.456 1.00 0.71 C ATOM 0 H ALA A 24 14.322 4.862 5.261 1.00 0.50 H new ATOM 0 HA ALA A 24 15.811 6.047 3.316 1.00 0.58 H new ATOM 0 HB1 ALA A 24 14.610 8.134 3.932 1.00 0.71 H new ATOM 0 HB2 ALA A 24 13.527 6.723 4.001 1.00 0.71 H new ATOM 0 HB3 ALA A 24 14.182 7.417 5.504 1.00 0.71 H new ATOM 360 N GLY A 25 16.795 6.912 6.307 1.00 0.68 N ATOM 361 CA GLY A 25 17.837 7.511 7.110 1.00 0.81 C ATOM 362 C GLY A 25 19.234 7.394 6.511 1.00 0.71 C ATOM 363 O GLY A 25 20.083 8.252 6.755 1.00 0.80 O ATOM 0 H GLY A 25 16.070 6.445 6.851 1.00 0.68 H new ATOM 0 HA2 GLY A 25 17.605 8.566 7.258 1.00 0.81 H new ATOM 0 HA3 GLY A 25 17.836 7.043 8.094 1.00 0.81 H new ATOM 367 N ARG A 26 19.482 6.349 5.725 1.00 0.60 N ATOM 368 CA ARG A 26 20.797 6.161 5.115 1.00 0.59 C ATOM 369 C ARG A 26 21.162 7.314 4.193 1.00 0.57 C ATOM 370 O ARG A 26 22.341 7.588 3.967 1.00 0.71 O ATOM 371 CB ARG A 26 20.865 4.844 4.350 1.00 0.61 C ATOM 372 CG ARG A 26 21.306 3.691 5.230 1.00 1.17 C ATOM 373 CD ARG A 26 22.057 2.627 4.447 1.00 0.97 C ATOM 374 NE ARG A 26 23.273 3.161 3.834 1.00 1.55 N ATOM 375 CZ ARG A 26 24.315 2.414 3.482 1.00 1.95 C ATOM 376 NH1 ARG A 26 24.289 1.102 3.668 1.00 2.01 N ATOM 377 NH2 ARG A 26 25.383 2.981 2.937 1.00 2.82 N ATOM 0 H ARG A 26 18.799 5.627 5.497 1.00 0.60 H new ATOM 0 HA ARG A 26 21.522 6.134 5.929 1.00 0.59 H new ATOM 0 HB2 ARG A 26 19.886 4.621 3.926 1.00 0.61 H new ATOM 0 HB3 ARG A 26 21.558 4.947 3.515 1.00 0.61 H new ATOM 0 HG2 ARG A 26 21.943 4.069 6.029 1.00 1.17 H new ATOM 0 HG3 ARG A 26 20.433 3.243 5.704 1.00 1.17 H new ATOM 0 HD2 ARG A 26 22.317 1.802 5.111 1.00 0.97 H new ATOM 0 HD3 ARG A 26 21.408 2.220 3.672 1.00 0.97 H new ATOM 0 HE ARG A 26 23.325 4.166 3.667 1.00 1.55 H new ATOM 0 HH11 ARG A 26 23.468 0.662 4.083 1.00 2.01 H new ATOM 0 HH12 ARG A 26 25.090 0.532 3.397 1.00 2.01 H new ATOM 0 HH21 ARG A 26 25.405 3.990 2.788 1.00 2.82 H new ATOM 0 HH22 ARG A 26 26.183 2.408 2.667 1.00 2.82 H new ATOM 391 N GLU A 27 20.153 7.990 3.664 1.00 0.50 N ATOM 392 CA GLU A 27 20.392 9.117 2.778 1.00 0.58 C ATOM 393 C GLU A 27 20.542 10.394 3.595 1.00 0.80 C ATOM 394 O GLU A 27 19.657 10.753 4.372 1.00 1.27 O ATOM 395 CB GLU A 27 19.250 9.255 1.769 1.00 0.98 C ATOM 396 CG GLU A 27 19.064 8.027 0.891 1.00 0.85 C ATOM 397 CD GLU A 27 20.317 7.665 0.118 1.00 1.09 C ATOM 398 OE1 GLU A 27 20.530 8.238 -0.971 1.00 1.63 O ATOM 399 OE2 GLU A 27 21.085 6.806 0.602 1.00 1.78 O ATOM 0 H GLU A 27 19.169 7.780 3.831 1.00 0.50 H new ATOM 0 HA GLU A 27 21.315 8.943 2.225 1.00 0.58 H new ATOM 0 HB2 GLU A 27 18.322 9.451 2.307 1.00 0.98 H new ATOM 0 HB3 GLU A 27 19.439 10.120 1.134 1.00 0.98 H new ATOM 0 HG2 GLU A 27 18.769 7.182 1.513 1.00 0.85 H new ATOM 0 HG3 GLU A 27 18.249 8.207 0.190 1.00 0.85 H new ATOM 406 N GLY A 28 21.679 11.069 3.415 1.00 1.33 N ATOM 407 CA GLY A 28 21.970 12.296 4.147 1.00 1.88 C ATOM 408 C GLY A 28 20.757 13.168 4.395 1.00 1.36 C ATOM 409 O GLY A 28 20.034 12.975 5.373 1.00 1.58 O ATOM 0 H GLY A 28 22.413 10.783 2.766 1.00 1.33 H new ATOM 0 HA2 GLY A 28 22.420 12.037 5.105 1.00 1.88 H new ATOM 0 HA3 GLY A 28 22.711 12.871 3.592 1.00 1.88 H new ATOM 413 N ARG A 29 20.534 14.127 3.507 1.00 1.16 N ATOM 414 CA ARG A 29 19.406 15.042 3.632 1.00 1.06 C ATOM 415 C ARG A 29 18.125 14.290 3.989 1.00 1.13 C ATOM 416 O ARG A 29 18.082 13.060 3.935 1.00 1.73 O ATOM 417 CB ARG A 29 19.216 15.814 2.321 1.00 1.38 C ATOM 418 CG ARG A 29 18.185 16.931 2.400 1.00 1.78 C ATOM 419 CD ARG A 29 18.499 17.901 3.528 1.00 2.37 C ATOM 420 NE ARG A 29 19.767 18.591 3.312 1.00 2.89 N ATOM 421 CZ ARG A 29 20.474 19.157 4.285 1.00 3.59 C ATOM 422 NH1 ARG A 29 20.032 19.124 5.535 1.00 3.91 N ATOM 423 NH2 ARG A 29 21.622 19.759 4.007 1.00 4.31 N ATOM 0 H ARG A 29 21.121 14.292 2.689 1.00 1.16 H new ATOM 0 HA ARG A 29 19.621 15.744 4.438 1.00 1.06 H new ATOM 0 HB2 ARG A 29 20.174 16.239 2.020 1.00 1.38 H new ATOM 0 HB3 ARG A 29 18.918 15.114 1.540 1.00 1.38 H new ATOM 0 HG2 ARG A 29 18.157 17.470 1.453 1.00 1.78 H new ATOM 0 HG3 ARG A 29 17.194 16.503 2.552 1.00 1.78 H new ATOM 0 HD2 ARG A 29 17.696 18.634 3.612 1.00 2.37 H new ATOM 0 HD3 ARG A 29 18.536 17.360 4.473 1.00 2.37 H new ATOM 0 HE ARG A 29 20.131 18.642 2.361 1.00 2.89 H new ATOM 0 HH11 ARG A 29 19.148 18.664 5.751 1.00 3.91 H new ATOM 0 HH12 ARG A 29 20.576 19.559 6.280 1.00 3.91 H new ATOM 0 HH21 ARG A 29 21.963 19.788 3.046 1.00 4.31 H new ATOM 0 HH22 ARG A 29 22.164 20.193 4.754 1.00 4.31 H new ATOM 437 N LYS A 30 17.085 15.031 4.348 1.00 1.04 N ATOM 438 CA LYS A 30 15.808 14.429 4.692 1.00 1.47 C ATOM 439 C LYS A 30 14.902 14.459 3.473 1.00 1.32 C ATOM 440 O LYS A 30 13.777 14.958 3.520 1.00 1.64 O ATOM 441 CB LYS A 30 15.153 15.187 5.850 1.00 2.03 C ATOM 442 CG LYS A 30 14.611 14.275 6.940 1.00 2.65 C ATOM 443 CD LYS A 30 15.725 13.471 7.596 1.00 3.51 C ATOM 444 CE LYS A 30 15.190 12.553 8.683 1.00 4.01 C ATOM 445 NZ LYS A 30 14.226 11.554 8.143 1.00 4.77 N ATOM 0 H LYS A 30 17.103 16.049 4.408 1.00 1.04 H new ATOM 0 HA LYS A 30 15.969 13.398 5.006 1.00 1.47 H new ATOM 0 HB2 LYS A 30 15.883 15.869 6.287 1.00 2.03 H new ATOM 0 HB3 LYS A 30 14.339 15.798 5.460 1.00 2.03 H new ATOM 0 HG2 LYS A 30 14.098 14.872 7.694 1.00 2.65 H new ATOM 0 HG3 LYS A 30 13.872 13.596 6.514 1.00 2.65 H new ATOM 0 HD2 LYS A 30 16.240 12.878 6.840 1.00 3.51 H new ATOM 0 HD3 LYS A 30 16.461 14.151 8.024 1.00 3.51 H new ATOM 0 HE2 LYS A 30 16.021 12.034 9.161 1.00 4.01 H new ATOM 0 HE3 LYS A 30 14.701 13.149 9.453 1.00 4.01 H new ATOM 0 HZ1 LYS A 30 14.220 10.712 8.753 1.00 4.77 H new ATOM 0 HZ2 LYS A 30 13.273 11.970 8.118 1.00 4.77 H new ATOM 0 HZ3 LYS A 30 14.511 11.282 7.180 1.00 4.77 H new ATOM 459 N GLY A 31 15.424 13.923 2.376 1.00 0.95 N ATOM 460 CA GLY A 31 14.677 13.862 1.138 1.00 0.88 C ATOM 461 C GLY A 31 14.059 12.524 0.961 1.00 0.80 C ATOM 462 O GLY A 31 12.884 12.366 1.205 1.00 0.85 O ATOM 0 H GLY A 31 16.362 13.526 2.325 1.00 0.95 H new ATOM 0 HA2 GLY A 31 13.902 14.629 1.137 1.00 0.88 H new ATOM 0 HA3 GLY A 31 15.338 14.076 0.298 1.00 0.88 H new ATOM 466 N SER A 32 14.820 11.546 0.543 1.00 0.74 N ATOM 467 CA SER A 32 14.238 10.239 0.342 1.00 0.71 C ATOM 468 C SER A 32 15.135 9.107 0.766 1.00 0.70 C ATOM 469 O SER A 32 16.273 9.289 1.202 1.00 0.74 O ATOM 470 CB SER A 32 13.861 10.042 -1.119 1.00 0.68 C ATOM 471 OG SER A 32 14.901 10.491 -1.970 1.00 1.10 O ATOM 0 H SER A 32 15.817 11.621 0.339 1.00 0.74 H new ATOM 0 HA SER A 32 13.353 10.212 0.978 1.00 0.71 H new ATOM 0 HB2 SER A 32 13.659 8.988 -1.309 1.00 0.68 H new ATOM 0 HB3 SER A 32 12.943 10.587 -1.339 1.00 0.68 H new ATOM 0 HG SER A 32 15.241 9.738 -2.496 1.00 1.10 H new ATOM 477 N LEU A 33 14.570 7.933 0.615 1.00 0.72 N ATOM 478 CA LEU A 33 15.232 6.684 0.909 1.00 0.74 C ATOM 479 C LEU A 33 15.778 6.133 -0.377 1.00 0.56 C ATOM 480 O LEU A 33 15.284 6.491 -1.440 1.00 0.52 O ATOM 481 CB LEU A 33 14.235 5.716 1.493 1.00 0.99 C ATOM 482 CG LEU A 33 14.599 4.239 1.457 1.00 1.19 C ATOM 483 CD1 LEU A 33 14.015 3.551 2.677 1.00 1.93 C ATOM 484 CD2 LEU A 33 14.086 3.603 0.169 1.00 1.69 C ATOM 0 H LEU A 33 13.615 7.817 0.276 1.00 0.72 H new ATOM 0 HA LEU A 33 16.038 6.838 1.626 1.00 0.74 H new ATOM 0 HB2 LEU A 33 14.060 5.996 2.532 1.00 0.99 H new ATOM 0 HB3 LEU A 33 13.290 5.844 0.965 1.00 0.99 H new ATOM 0 HG LEU A 33 15.683 4.126 1.476 1.00 1.19 H new ATOM 0 HD11 LEU A 33 14.273 2.492 2.656 1.00 1.93 H new ATOM 0 HD12 LEU A 33 14.421 4.006 3.580 1.00 1.93 H new ATOM 0 HD13 LEU A 33 12.931 3.660 2.672 1.00 1.93 H new ATOM 0 HD21 LEU A 33 14.352 2.546 0.154 1.00 1.69 H new ATOM 0 HD22 LEU A 33 13.002 3.705 0.120 1.00 1.69 H new ATOM 0 HD23 LEU A 33 14.537 4.103 -0.688 1.00 1.69 H new ATOM 496 N ASN A 34 16.802 5.295 -0.325 1.00 0.57 N ATOM 497 CA ASN A 34 17.343 4.797 -1.562 1.00 0.47 C ATOM 498 C ASN A 34 17.278 3.274 -1.641 1.00 0.41 C ATOM 499 O ASN A 34 16.189 2.711 -1.579 1.00 0.56 O ATOM 500 CB ASN A 34 18.749 5.358 -1.716 1.00 0.56 C ATOM 501 CG ASN A 34 19.225 5.370 -3.154 1.00 1.37 C ATOM 502 OD1 ASN A 34 19.874 4.430 -3.613 1.00 2.12 O ATOM 503 ND2 ASN A 34 18.904 6.436 -3.877 1.00 2.11 N ATOM 0 H ASN A 34 17.254 4.961 0.526 1.00 0.57 H new ATOM 0 HA ASN A 34 16.740 5.135 -2.405 1.00 0.47 H new ATOM 0 HB2 ASN A 34 18.775 6.374 -1.322 1.00 0.56 H new ATOM 0 HB3 ASN A 34 19.439 4.765 -1.115 1.00 0.56 H new ATOM 0 HD21 ASN A 34 19.197 6.498 -4.852 1.00 2.11 H new ATOM 0 HD22 ASN A 34 18.365 7.193 -3.457 1.00 2.11 H new ATOM 510 N ILE A 35 18.405 2.601 -1.843 1.00 0.54 N ATOM 511 CA ILE A 35 18.397 1.159 -1.906 1.00 0.54 C ATOM 512 C ILE A 35 19.621 0.557 -1.245 1.00 0.56 C ATOM 513 O ILE A 35 20.099 -0.508 -1.636 1.00 0.63 O ATOM 514 CB ILE A 35 18.243 0.628 -3.341 1.00 0.60 C ATOM 515 CG1 ILE A 35 18.891 1.579 -4.349 1.00 0.70 C ATOM 516 CG2 ILE A 35 16.769 0.426 -3.659 1.00 0.66 C ATOM 517 CD1 ILE A 35 20.351 1.845 -4.070 1.00 1.05 C ATOM 0 H ILE A 35 19.322 3.032 -1.964 1.00 0.54 H new ATOM 0 HA ILE A 35 17.517 0.842 -1.346 1.00 0.54 H new ATOM 0 HB ILE A 35 18.755 -0.331 -3.416 1.00 0.60 H new ATOM 0 HG12 ILE A 35 18.791 1.159 -5.350 1.00 0.70 H new ATOM 0 HG13 ILE A 35 18.350 2.525 -4.345 1.00 0.70 H new ATOM 0 HG21 ILE A 35 16.665 0.050 -4.677 1.00 0.66 H new ATOM 0 HG22 ILE A 35 16.341 -0.293 -2.961 1.00 0.66 H new ATOM 0 HG23 ILE A 35 16.244 1.377 -3.568 1.00 0.66 H new ATOM 0 HD11 ILE A 35 20.747 2.527 -4.823 1.00 1.05 H new ATOM 0 HD12 ILE A 35 20.457 2.294 -3.082 1.00 1.05 H new ATOM 0 HD13 ILE A 35 20.905 0.907 -4.103 1.00 1.05 H new ATOM 529 N ASN A 36 20.115 1.248 -0.233 1.00 0.59 N ATOM 530 CA ASN A 36 21.261 0.786 0.519 1.00 0.63 C ATOM 531 C ASN A 36 20.797 -0.240 1.525 1.00 0.59 C ATOM 532 O ASN A 36 21.198 -1.401 1.467 1.00 0.59 O ATOM 533 CB ASN A 36 21.959 1.955 1.209 1.00 0.70 C ATOM 534 CG ASN A 36 22.600 2.910 0.220 1.00 1.33 C ATOM 535 OD1 ASN A 36 21.973 3.870 -0.229 1.00 2.15 O ATOM 536 ND2 ASN A 36 23.855 2.650 -0.127 1.00 1.89 N ATOM 0 H ASN A 36 19.734 2.139 0.087 1.00 0.59 H new ATOM 0 HA ASN A 36 21.985 0.329 -0.155 1.00 0.63 H new ATOM 0 HB2 ASN A 36 21.236 2.498 1.818 1.00 0.70 H new ATOM 0 HB3 ASN A 36 22.722 1.571 1.886 1.00 0.70 H new ATOM 0 HD21 ASN A 36 24.337 3.257 -0.790 1.00 1.89 H new ATOM 0 HD22 ASN A 36 24.337 1.843 0.270 1.00 1.89 H new ATOM 543 N GLU A 37 19.955 0.174 2.459 1.00 0.57 N ATOM 544 CA GLU A 37 19.433 -0.786 3.405 1.00 0.56 C ATOM 545 C GLU A 37 18.404 -1.654 2.718 1.00 0.50 C ATOM 546 O GLU A 37 18.088 -2.735 3.204 1.00 0.52 O ATOM 547 CB GLU A 37 18.826 -0.146 4.626 1.00 0.66 C ATOM 548 CG GLU A 37 19.618 1.028 5.142 1.00 0.75 C ATOM 549 CD GLU A 37 19.220 1.414 6.556 1.00 0.76 C ATOM 550 OE1 GLU A 37 19.503 0.632 7.487 1.00 1.29 O ATOM 551 OE2 GLU A 37 18.627 2.499 6.729 1.00 1.40 O ATOM 0 H GLU A 37 19.630 1.134 2.578 1.00 0.57 H new ATOM 0 HA GLU A 37 20.274 -1.385 3.753 1.00 0.56 H new ATOM 0 HB2 GLU A 37 17.814 0.183 4.390 1.00 0.66 H new ATOM 0 HB3 GLU A 37 18.742 -0.893 5.415 1.00 0.66 H new ATOM 0 HG2 GLU A 37 20.680 0.785 5.119 1.00 0.75 H new ATOM 0 HG3 GLU A 37 19.472 1.881 4.480 1.00 0.75 H new ATOM 558 N PHE A 38 17.849 -1.182 1.588 1.00 0.46 N ATOM 559 CA PHE A 38 16.908 -1.989 0.840 1.00 0.42 C ATOM 560 C PHE A 38 17.555 -3.352 0.604 1.00 0.45 C ATOM 561 O PHE A 38 16.889 -4.378 0.562 1.00 0.45 O ATOM 562 CB PHE A 38 16.568 -1.290 -0.485 1.00 0.43 C ATOM 563 CG PHE A 38 15.357 -1.821 -1.206 1.00 0.41 C ATOM 564 CD1 PHE A 38 15.242 -3.160 -1.523 1.00 1.21 C ATOM 565 CD2 PHE A 38 14.329 -0.964 -1.567 1.00 1.30 C ATOM 566 CE1 PHE A 38 14.125 -3.639 -2.181 1.00 1.21 C ATOM 567 CE2 PHE A 38 13.210 -1.435 -2.224 1.00 1.32 C ATOM 568 CZ PHE A 38 13.107 -2.776 -2.530 1.00 0.45 C ATOM 0 H PHE A 38 18.040 -0.262 1.190 1.00 0.46 H new ATOM 0 HA PHE A 38 15.975 -2.120 1.388 1.00 0.42 H new ATOM 0 HB2 PHE A 38 16.415 -0.229 -0.287 1.00 0.43 H new ATOM 0 HB3 PHE A 38 17.429 -1.370 -1.149 1.00 0.43 H new ATOM 0 HD1 PHE A 38 16.035 -3.842 -1.253 1.00 1.21 H new ATOM 0 HD2 PHE A 38 14.405 0.087 -1.331 1.00 1.30 H new ATOM 0 HE1 PHE A 38 14.049 -4.689 -2.422 1.00 1.21 H new ATOM 0 HE2 PHE A 38 12.417 -0.755 -2.498 1.00 1.32 H new ATOM 0 HZ PHE A 38 12.232 -3.149 -3.041 1.00 0.45 H new ATOM 578 N LYS A 39 18.892 -3.340 0.526 1.00 0.49 N ATOM 579 CA LYS A 39 19.669 -4.555 0.330 1.00 0.53 C ATOM 580 C LYS A 39 19.501 -5.511 1.495 1.00 0.53 C ATOM 581 O LYS A 39 19.926 -6.663 1.459 1.00 0.56 O ATOM 582 CB LYS A 39 21.136 -4.212 0.113 1.00 0.61 C ATOM 583 CG LYS A 39 21.324 -3.057 -0.840 1.00 0.67 C ATOM 584 CD LYS A 39 22.036 -3.488 -2.111 1.00 0.71 C ATOM 585 CE LYS A 39 23.436 -4.007 -1.815 1.00 1.47 C ATOM 586 NZ LYS A 39 24.292 -2.964 -1.183 1.00 1.80 N ATOM 0 H LYS A 39 19.455 -2.492 0.597 1.00 0.49 H new ATOM 0 HA LYS A 39 19.295 -5.059 -0.561 1.00 0.53 H new ATOM 0 HB2 LYS A 39 21.594 -3.967 1.071 1.00 0.61 H new ATOM 0 HB3 LYS A 39 21.657 -5.087 -0.275 1.00 0.61 H new ATOM 0 HG2 LYS A 39 20.353 -2.632 -1.093 1.00 0.67 H new ATOM 0 HG3 LYS A 39 21.898 -2.271 -0.350 1.00 0.67 H new ATOM 0 HD2 LYS A 39 21.456 -4.265 -2.609 1.00 0.71 H new ATOM 0 HD3 LYS A 39 22.097 -2.645 -2.799 1.00 0.71 H new ATOM 0 HE2 LYS A 39 23.371 -4.872 -1.155 1.00 1.47 H new ATOM 0 HE3 LYS A 39 23.901 -4.346 -2.741 1.00 1.47 H new ATOM 0 HZ1 LYS A 39 25.282 -3.281 -1.182 1.00 1.80 H new ATOM 0 HZ2 LYS A 39 24.213 -2.077 -1.721 1.00 1.80 H new ATOM 0 HZ3 LYS A 39 23.979 -2.804 -0.204 1.00 1.80 H new ATOM 600 N GLU A 40 18.964 -4.993 2.555 1.00 0.52 N ATOM 601 CA GLU A 40 18.646 -5.807 3.706 1.00 0.56 C ATOM 602 C GLU A 40 17.277 -6.478 3.473 1.00 0.54 C ATOM 603 O GLU A 40 16.833 -7.297 4.277 1.00 0.60 O ATOM 604 CB GLU A 40 18.642 -4.961 4.991 1.00 0.60 C ATOM 605 CG GLU A 40 17.326 -4.249 5.264 1.00 1.09 C ATOM 606 CD GLU A 40 17.511 -2.905 5.938 1.00 1.91 C ATOM 607 OE1 GLU A 40 18.299 -2.827 6.905 1.00 2.62 O ATOM 608 OE2 GLU A 40 16.865 -1.930 5.501 1.00 2.43 O ATOM 0 H GLU A 40 18.732 -4.005 2.656 1.00 0.52 H new ATOM 0 HA GLU A 40 19.407 -6.577 3.833 1.00 0.56 H new ATOM 0 HB2 GLU A 40 18.876 -5.606 5.838 1.00 0.60 H new ATOM 0 HB3 GLU A 40 19.437 -4.219 4.926 1.00 0.60 H new ATOM 0 HG2 GLU A 40 16.793 -4.108 4.324 1.00 1.09 H new ATOM 0 HG3 GLU A 40 16.700 -4.882 5.893 1.00 1.09 H new ATOM 615 N LEU A 41 16.612 -6.114 2.355 1.00 0.49 N ATOM 616 CA LEU A 41 15.295 -6.645 2.030 1.00 0.50 C ATOM 617 C LEU A 41 15.352 -8.045 1.454 1.00 0.55 C ATOM 618 O LEU A 41 15.392 -8.994 2.216 1.00 0.62 O ATOM 619 CB LEU A 41 14.535 -5.725 1.069 1.00 0.46 C ATOM 620 CG LEU A 41 14.206 -4.334 1.606 1.00 0.44 C ATOM 621 CD1 LEU A 41 13.060 -3.725 0.814 1.00 0.55 C ATOM 622 CD2 LEU A 41 13.867 -4.381 3.092 1.00 0.66 C ATOM 0 H LEU A 41 16.977 -5.453 1.669 1.00 0.49 H new ATOM 0 HA LEU A 41 14.757 -6.694 2.977 1.00 0.50 H new ATOM 0 HB2 LEU A 41 15.125 -5.613 0.159 1.00 0.46 H new ATOM 0 HB3 LEU A 41 13.603 -6.215 0.786 1.00 0.46 H new ATOM 0 HG LEU A 41 15.089 -3.706 1.488 1.00 0.44 H new ATOM 0 HD11 LEU A 41 12.834 -2.733 1.206 1.00 0.55 H new ATOM 0 HD12 LEU A 41 13.345 -3.645 -0.235 1.00 0.55 H new ATOM 0 HD13 LEU A 41 12.178 -4.360 0.903 1.00 0.55 H new ATOM 0 HD21 LEU A 41 13.637 -3.376 3.445 1.00 0.66 H new ATOM 0 HD22 LEU A 41 13.003 -5.026 3.248 1.00 0.66 H new ATOM 0 HD23 LEU A 41 14.718 -4.775 3.647 1.00 0.66 H new ATOM 634 N ALA A 42 15.384 -8.183 0.115 1.00 0.55 N ATOM 635 CA ALA A 42 15.392 -9.502 -0.520 1.00 0.61 C ATOM 636 C ALA A 42 16.211 -10.505 0.271 1.00 0.67 C ATOM 637 O ALA A 42 15.863 -11.673 0.367 1.00 0.74 O ATOM 638 CB ALA A 42 15.924 -9.421 -1.927 1.00 0.65 C ATOM 0 H ALA A 42 15.404 -7.400 -0.538 1.00 0.55 H new ATOM 0 HA ALA A 42 14.357 -9.844 -0.545 1.00 0.61 H new ATOM 0 HB1 ALA A 42 15.919 -10.414 -2.376 1.00 0.65 H new ATOM 0 HB2 ALA A 42 15.295 -8.754 -2.516 1.00 0.65 H new ATOM 0 HB3 ALA A 42 16.944 -9.036 -1.909 1.00 0.65 H new ATOM 644 N THR A 43 17.269 -10.008 0.879 1.00 0.66 N ATOM 645 CA THR A 43 18.152 -10.814 1.672 1.00 0.73 C ATOM 646 C THR A 43 17.411 -11.473 2.835 1.00 0.78 C ATOM 647 O THR A 43 17.314 -12.698 2.907 1.00 0.86 O ATOM 648 CB THR A 43 19.284 -9.920 2.189 1.00 0.72 C ATOM 649 OG1 THR A 43 18.794 -8.581 2.406 1.00 0.66 O ATOM 650 CG2 THR A 43 20.430 -9.887 1.194 1.00 0.75 C ATOM 0 H THR A 43 17.535 -9.025 0.831 1.00 0.66 H new ATOM 0 HA THR A 43 18.559 -11.618 1.058 1.00 0.73 H new ATOM 0 HB THR A 43 19.646 -10.330 3.132 1.00 0.72 H new ATOM 0 HG1 THR A 43 19.196 -7.975 1.749 1.00 0.66 H new ATOM 0 HG21 THR A 43 21.226 -9.248 1.576 1.00 0.75 H new ATOM 0 HG22 THR A 43 20.814 -10.897 1.048 1.00 0.75 H new ATOM 0 HG23 THR A 43 20.074 -9.493 0.242 1.00 0.75 H new ATOM 658 N GLN A 44 16.904 -10.655 3.748 1.00 0.77 N ATOM 659 CA GLN A 44 16.156 -11.138 4.892 1.00 0.85 C ATOM 660 C GLN A 44 14.725 -11.455 4.497 1.00 0.85 C ATOM 661 O GLN A 44 14.077 -12.316 5.094 1.00 0.94 O ATOM 662 CB GLN A 44 16.189 -10.087 6.009 1.00 0.88 C ATOM 663 CG GLN A 44 15.185 -10.331 7.127 1.00 1.54 C ATOM 664 CD GLN A 44 15.287 -9.304 8.238 1.00 2.05 C ATOM 665 OE1 GLN A 44 16.034 -9.486 9.200 1.00 2.54 O ATOM 666 NE2 GLN A 44 14.533 -8.218 8.112 1.00 2.75 N ATOM 0 H GLN A 44 17.002 -9.640 3.713 1.00 0.77 H new ATOM 0 HA GLN A 44 16.616 -12.057 5.257 1.00 0.85 H new ATOM 0 HB2 GLN A 44 17.191 -10.059 6.436 1.00 0.88 H new ATOM 0 HB3 GLN A 44 16.000 -9.105 5.574 1.00 0.88 H new ATOM 0 HG2 GLN A 44 14.176 -10.315 6.714 1.00 1.54 H new ATOM 0 HG3 GLN A 44 15.344 -11.326 7.542 1.00 1.54 H new ATOM 0 HE21 GLN A 44 13.928 -8.109 7.298 1.00 2.75 H new ATOM 0 HE22 GLN A 44 14.559 -7.493 8.829 1.00 2.75 H new ATOM 675 N GLN A 45 14.239 -10.759 3.484 1.00 0.78 N ATOM 676 CA GLN A 45 12.886 -10.971 3.001 1.00 0.83 C ATOM 677 C GLN A 45 12.818 -12.244 2.195 1.00 0.79 C ATOM 678 O GLN A 45 11.742 -12.817 2.025 1.00 0.80 O ATOM 679 CB GLN A 45 12.439 -9.802 2.150 1.00 0.93 C ATOM 680 CG GLN A 45 12.486 -8.476 2.876 1.00 0.97 C ATOM 681 CD GLN A 45 11.719 -7.388 2.158 1.00 1.36 C ATOM 682 OE1 GLN A 45 11.283 -6.428 2.790 1.00 2.34 O ATOM 683 NE2 GLN A 45 11.559 -7.525 0.835 1.00 1.43 N ATOM 0 H GLN A 45 14.761 -10.042 2.980 1.00 0.78 H new ATOM 0 HA GLN A 45 12.221 -11.055 3.861 1.00 0.83 H new ATOM 0 HB2 GLN A 45 13.071 -9.745 1.264 1.00 0.93 H new ATOM 0 HB3 GLN A 45 11.421 -9.982 1.804 1.00 0.93 H new ATOM 0 HG2 GLN A 45 12.077 -8.601 3.879 1.00 0.97 H new ATOM 0 HG3 GLN A 45 13.525 -8.167 2.991 1.00 0.97 H new ATOM 0 HE21 GLN A 45 11.940 -8.341 0.357 1.00 1.43 H new ATOM 0 HE22 GLN A 45 11.056 -6.813 0.306 1.00 1.43 H new ATOM 692 N LEU A 46 13.978 -12.680 1.679 1.00 0.78 N ATOM 693 CA LEU A 46 14.070 -13.917 0.907 1.00 0.78 C ATOM 694 C LEU A 46 13.162 -14.957 1.538 1.00 0.74 C ATOM 695 O LEU A 46 12.138 -15.304 0.954 1.00 0.75 O ATOM 696 CB LEU A 46 15.517 -14.440 0.840 1.00 0.83 C ATOM 697 CG LEU A 46 16.222 -14.333 -0.522 1.00 1.04 C ATOM 698 CD1 LEU A 46 17.458 -15.216 -0.542 1.00 1.25 C ATOM 699 CD2 LEU A 46 15.276 -14.715 -1.648 1.00 1.30 C ATOM 0 H LEU A 46 14.865 -12.188 1.786 1.00 0.78 H new ATOM 0 HA LEU A 46 13.754 -13.715 -0.116 1.00 0.78 H new ATOM 0 HB2 LEU A 46 16.111 -13.897 1.575 1.00 0.83 H new ATOM 0 HB3 LEU A 46 15.516 -15.487 1.142 1.00 0.83 H new ATOM 0 HG LEU A 46 16.529 -13.298 -0.673 1.00 1.04 H new ATOM 0 HD11 LEU A 46 17.949 -15.132 -1.511 1.00 1.25 H new ATOM 0 HD12 LEU A 46 18.145 -14.898 0.242 1.00 1.25 H new ATOM 0 HD13 LEU A 46 17.167 -16.253 -0.371 1.00 1.25 H new ATOM 0 HD21 LEU A 46 15.795 -14.632 -2.603 1.00 1.30 H new ATOM 0 HD22 LEU A 46 14.938 -15.741 -1.506 1.00 1.30 H new ATOM 0 HD23 LEU A 46 14.416 -14.046 -1.643 1.00 1.30 H new ATOM 711 N PRO A 47 13.482 -15.457 2.749 1.00 0.78 N ATOM 712 CA PRO A 47 12.587 -16.404 3.374 1.00 0.80 C ATOM 713 C PRO A 47 11.422 -15.722 4.082 1.00 0.77 C ATOM 714 O PRO A 47 11.511 -15.360 5.256 1.00 0.81 O ATOM 715 CB PRO A 47 13.496 -17.062 4.416 1.00 0.90 C ATOM 716 CG PRO A 47 14.494 -16.015 4.771 1.00 0.95 C ATOM 717 CD PRO A 47 14.700 -15.199 3.528 1.00 0.90 C ATOM 0 HA PRO A 47 12.133 -17.085 2.654 1.00 0.80 H new ATOM 0 HB2 PRO A 47 12.929 -17.380 5.291 1.00 0.90 H new ATOM 0 HB3 PRO A 47 13.982 -17.950 4.012 1.00 0.90 H new ATOM 0 HG2 PRO A 47 14.132 -15.393 5.590 1.00 0.95 H new ATOM 0 HG3 PRO A 47 15.430 -16.465 5.102 1.00 0.95 H new ATOM 0 HD2 PRO A 47 14.814 -14.139 3.757 1.00 0.90 H new ATOM 0 HD3 PRO A 47 15.596 -15.507 2.988 1.00 0.90 H new ATOM 725 N HIS A 48 10.331 -15.548 3.341 1.00 0.73 N ATOM 726 CA HIS A 48 9.078 -15.048 3.893 1.00 0.74 C ATOM 727 C HIS A 48 8.163 -16.232 4.160 1.00 0.83 C ATOM 728 O HIS A 48 8.621 -17.373 4.229 1.00 0.91 O ATOM 729 CB HIS A 48 8.386 -13.997 2.994 1.00 0.73 C ATOM 730 CG HIS A 48 8.536 -12.615 3.539 1.00 0.98 C ATOM 731 ND1 HIS A 48 7.841 -12.176 4.644 1.00 1.87 N ATOM 732 CD2 HIS A 48 9.321 -11.582 3.155 1.00 1.34 C ATOM 733 CE1 HIS A 48 8.191 -10.934 4.917 1.00 2.04 C ATOM 734 NE2 HIS A 48 9.089 -10.552 4.029 1.00 1.61 N ATOM 0 H HIS A 48 10.292 -15.750 2.342 1.00 0.73 H new ATOM 0 HA HIS A 48 9.303 -14.524 4.822 1.00 0.74 H new ATOM 0 HB2 HIS A 48 8.811 -14.040 1.991 1.00 0.73 H new ATOM 0 HB3 HIS A 48 7.327 -14.238 2.902 1.00 0.73 H new ATOM 0 HD2 HIS A 48 10.002 -11.571 2.317 1.00 1.34 H new ATOM 0 HE1 HIS A 48 7.808 -10.333 5.728 1.00 2.04 H new ATOM 0 HE2 HIS A 48 9.538 -9.637 3.998 1.00 1.61 H new ATOM 743 N LEU A 49 6.875 -15.965 4.316 1.00 0.88 N ATOM 744 CA LEU A 49 5.909 -17.034 4.440 1.00 1.00 C ATOM 745 C LEU A 49 5.656 -17.555 3.025 1.00 0.98 C ATOM 746 O LEU A 49 6.237 -18.558 2.609 1.00 1.02 O ATOM 747 CB LEU A 49 4.615 -16.528 5.078 1.00 1.10 C ATOM 748 CG LEU A 49 3.445 -17.511 5.036 1.00 1.62 C ATOM 749 CD1 LEU A 49 3.790 -18.777 5.801 1.00 2.02 C ATOM 750 CD2 LEU A 49 2.191 -16.864 5.602 1.00 2.44 C ATOM 0 H LEU A 49 6.482 -15.025 4.359 1.00 0.88 H new ATOM 0 HA LEU A 49 6.283 -17.828 5.086 1.00 1.00 H new ATOM 0 HB2 LEU A 49 4.817 -16.271 6.118 1.00 1.10 H new ATOM 0 HB3 LEU A 49 4.315 -15.609 4.575 1.00 1.10 H new ATOM 0 HG LEU A 49 3.252 -17.781 3.998 1.00 1.62 H new ATOM 0 HD11 LEU A 49 2.947 -19.467 5.762 1.00 2.02 H new ATOM 0 HD12 LEU A 49 4.665 -19.247 5.351 1.00 2.02 H new ATOM 0 HD13 LEU A 49 4.006 -18.527 6.840 1.00 2.02 H new ATOM 0 HD21 LEU A 49 1.366 -17.576 5.566 1.00 2.44 H new ATOM 0 HD22 LEU A 49 2.369 -16.568 6.636 1.00 2.44 H new ATOM 0 HD23 LEU A 49 1.937 -15.984 5.011 1.00 2.44 H new ATOM 762 N LEU A 50 4.784 -16.863 2.290 1.00 0.98 N ATOM 763 CA LEU A 50 4.504 -17.201 0.895 1.00 1.01 C ATOM 764 C LEU A 50 5.554 -16.540 -0.006 1.00 0.92 C ATOM 765 O LEU A 50 5.215 -15.820 -0.946 1.00 1.01 O ATOM 766 CB LEU A 50 3.099 -16.736 0.504 1.00 1.11 C ATOM 767 CG LEU A 50 2.653 -17.126 -0.906 1.00 1.60 C ATOM 768 CD1 LEU A 50 2.704 -18.637 -1.083 1.00 1.97 C ATOM 769 CD2 LEU A 50 1.250 -16.604 -1.183 1.00 2.25 C ATOM 0 H LEU A 50 4.258 -16.062 2.640 1.00 0.98 H new ATOM 0 HA LEU A 50 4.551 -18.283 0.771 1.00 1.01 H new ATOM 0 HB2 LEU A 50 2.386 -17.145 1.220 1.00 1.11 H new ATOM 0 HB3 LEU A 50 3.054 -15.651 0.595 1.00 1.11 H new ATOM 0 HG LEU A 50 3.338 -16.673 -1.622 1.00 1.60 H new ATOM 0 HD11 LEU A 50 2.383 -18.896 -2.092 1.00 1.97 H new ATOM 0 HD12 LEU A 50 3.724 -18.988 -0.925 1.00 1.97 H new ATOM 0 HD13 LEU A 50 2.041 -19.111 -0.359 1.00 1.97 H new ATOM 0 HD21 LEU A 50 0.948 -16.890 -2.190 1.00 2.25 H new ATOM 0 HD22 LEU A 50 0.554 -17.030 -0.460 1.00 2.25 H new ATOM 0 HD23 LEU A 50 1.242 -15.517 -1.097 1.00 2.25 H new ATOM 781 N LYS A 51 6.825 -16.794 0.290 1.00 0.85 N ATOM 782 CA LYS A 51 7.938 -16.198 -0.438 1.00 0.81 C ATOM 783 C LYS A 51 7.709 -16.103 -1.944 1.00 0.88 C ATOM 784 O LYS A 51 6.936 -16.855 -2.535 1.00 1.03 O ATOM 785 CB LYS A 51 9.236 -16.959 -0.142 1.00 0.97 C ATOM 786 CG LYS A 51 10.411 -16.589 -1.056 1.00 1.23 C ATOM 787 CD LYS A 51 11.566 -17.579 -0.960 1.00 2.11 C ATOM 788 CE LYS A 51 11.931 -17.891 0.477 1.00 2.68 C ATOM 789 NZ LYS A 51 11.787 -19.340 0.784 1.00 3.58 N ATOM 0 H LYS A 51 7.112 -17.420 1.043 1.00 0.85 H new ATOM 0 HA LYS A 51 8.020 -15.172 -0.080 1.00 0.81 H new ATOM 0 HB2 LYS A 51 9.524 -16.773 0.893 1.00 0.97 H new ATOM 0 HB3 LYS A 51 9.044 -18.028 -0.232 1.00 0.97 H new ATOM 0 HG2 LYS A 51 10.063 -16.543 -2.088 1.00 1.23 H new ATOM 0 HG3 LYS A 51 10.769 -15.593 -0.795 1.00 1.23 H new ATOM 0 HD2 LYS A 51 11.296 -18.502 -1.473 1.00 2.11 H new ATOM 0 HD3 LYS A 51 12.436 -17.171 -1.474 1.00 2.11 H new ATOM 0 HE2 LYS A 51 12.958 -17.580 0.666 1.00 2.68 H new ATOM 0 HE3 LYS A 51 11.295 -17.313 1.147 1.00 2.68 H new ATOM 0 HZ1 LYS A 51 12.046 -19.512 1.776 1.00 3.58 H new ATOM 0 HZ2 LYS A 51 10.801 -19.632 0.628 1.00 3.58 H new ATOM 0 HZ3 LYS A 51 12.413 -19.890 0.162 1.00 3.58 H new ATOM 803 N ASP A 52 8.416 -15.143 -2.535 1.00 0.92 N ATOM 804 CA ASP A 52 8.383 -14.893 -3.973 1.00 1.17 C ATOM 805 C ASP A 52 9.728 -15.266 -4.606 1.00 1.23 C ATOM 806 O ASP A 52 9.801 -15.522 -5.806 1.00 1.47 O ATOM 807 CB ASP A 52 8.067 -13.424 -4.258 1.00 1.29 C ATOM 808 CG ASP A 52 7.974 -13.129 -5.743 1.00 1.87 C ATOM 809 OD1 ASP A 52 9.032 -12.918 -6.374 1.00 2.35 O ATOM 810 OD2 ASP A 52 6.844 -13.109 -6.275 1.00 2.61 O ATOM 0 H ASP A 52 9.033 -14.511 -2.025 1.00 0.92 H new ATOM 0 HA ASP A 52 7.598 -15.511 -4.409 1.00 1.17 H new ATOM 0 HB2 ASP A 52 7.125 -13.158 -3.778 1.00 1.29 H new ATOM 0 HB3 ASP A 52 8.839 -12.796 -3.814 1.00 1.29 H new ATOM 815 N VAL A 53 10.786 -15.258 -3.780 1.00 1.13 N ATOM 816 CA VAL A 53 12.137 -15.612 -4.197 1.00 1.26 C ATOM 817 C VAL A 53 12.813 -14.479 -4.959 1.00 1.24 C ATOM 818 O VAL A 53 12.812 -14.446 -6.190 1.00 1.48 O ATOM 819 CB VAL A 53 12.139 -16.891 -5.039 1.00 1.57 C ATOM 820 CG1 VAL A 53 13.539 -17.227 -5.539 1.00 2.17 C ATOM 821 CG2 VAL A 53 11.554 -18.052 -4.250 1.00 1.91 C ATOM 0 H VAL A 53 10.719 -15.002 -2.795 1.00 1.13 H new ATOM 0 HA VAL A 53 12.711 -15.792 -3.288 1.00 1.26 H new ATOM 0 HB VAL A 53 11.511 -16.716 -5.912 1.00 1.57 H new ATOM 0 HG11 VAL A 53 13.504 -18.140 -6.133 1.00 2.17 H new ATOM 0 HG12 VAL A 53 13.912 -16.408 -6.154 1.00 2.17 H new ATOM 0 HG13 VAL A 53 14.204 -17.373 -4.688 1.00 2.17 H new ATOM 0 HG21 VAL A 53 11.564 -18.952 -4.865 1.00 1.91 H new ATOM 0 HG22 VAL A 53 12.150 -18.219 -3.353 1.00 1.91 H new ATOM 0 HG23 VAL A 53 10.528 -17.818 -3.966 1.00 1.91 H new ATOM 831 N GLY A 54 13.388 -13.552 -4.203 1.00 1.06 N ATOM 832 CA GLY A 54 14.082 -12.422 -4.790 1.00 1.11 C ATOM 833 C GLY A 54 15.297 -12.847 -5.587 1.00 1.14 C ATOM 834 O GLY A 54 16.388 -12.999 -5.036 1.00 1.24 O ATOM 0 H GLY A 54 13.385 -13.564 -3.183 1.00 1.06 H new ATOM 0 HA2 GLY A 54 13.398 -11.875 -5.438 1.00 1.11 H new ATOM 0 HA3 GLY A 54 14.389 -11.737 -4.000 1.00 1.11 H new ATOM 838 N SER A 55 15.109 -13.043 -6.885 1.00 1.18 N ATOM 839 CA SER A 55 16.200 -13.456 -7.759 1.00 1.25 C ATOM 840 C SER A 55 17.373 -12.486 -7.657 1.00 1.11 C ATOM 841 O SER A 55 17.184 -11.290 -7.442 1.00 1.10 O ATOM 842 CB SER A 55 15.712 -13.544 -9.204 1.00 1.41 C ATOM 843 OG SER A 55 16.671 -14.186 -10.027 1.00 1.61 O ATOM 0 H SER A 55 14.212 -12.923 -7.356 1.00 1.18 H new ATOM 0 HA SER A 55 16.542 -14.441 -7.440 1.00 1.25 H new ATOM 0 HB2 SER A 55 14.771 -14.093 -9.241 1.00 1.41 H new ATOM 0 HB3 SER A 55 15.512 -12.543 -9.586 1.00 1.41 H new ATOM 0 HG SER A 55 16.335 -14.232 -10.946 1.00 1.61 H new ATOM 849 N LEU A 56 18.584 -13.008 -7.823 1.00 1.15 N ATOM 850 CA LEU A 56 19.797 -12.195 -7.738 1.00 1.10 C ATOM 851 C LEU A 56 19.640 -10.865 -8.474 1.00 0.98 C ATOM 852 O LEU A 56 19.462 -9.818 -7.850 1.00 0.97 O ATOM 853 CB LEU A 56 20.988 -12.965 -8.308 1.00 1.28 C ATOM 854 CG LEU A 56 22.323 -12.221 -8.262 1.00 2.03 C ATOM 855 CD1 LEU A 56 22.710 -11.910 -6.824 1.00 2.61 C ATOM 856 CD2 LEU A 56 23.410 -13.037 -8.945 1.00 2.83 C ATOM 0 H LEU A 56 18.754 -13.995 -8.018 1.00 1.15 H new ATOM 0 HA LEU A 56 19.973 -11.977 -6.685 1.00 1.10 H new ATOM 0 HB2 LEU A 56 21.092 -13.901 -7.759 1.00 1.28 H new ATOM 0 HB3 LEU A 56 20.770 -13.226 -9.344 1.00 1.28 H new ATOM 0 HG LEU A 56 22.213 -11.279 -8.799 1.00 2.03 H new ATOM 0 HD11 LEU A 56 23.663 -11.380 -6.810 1.00 2.61 H new ATOM 0 HD12 LEU A 56 21.941 -11.287 -6.367 1.00 2.61 H new ATOM 0 HD13 LEU A 56 22.804 -12.840 -6.263 1.00 2.61 H new ATOM 0 HD21 LEU A 56 24.354 -12.493 -8.903 1.00 2.83 H new ATOM 0 HD22 LEU A 56 23.520 -13.994 -8.436 1.00 2.83 H new ATOM 0 HD23 LEU A 56 23.136 -13.209 -9.986 1.00 2.83 H new ATOM 868 N ASP A 57 19.703 -10.912 -9.800 1.00 1.00 N ATOM 869 CA ASP A 57 19.573 -9.707 -10.612 1.00 1.01 C ATOM 870 C ASP A 57 18.336 -8.925 -10.227 1.00 0.95 C ATOM 871 O ASP A 57 18.365 -7.698 -10.129 1.00 0.96 O ATOM 872 CB ASP A 57 19.480 -10.053 -12.089 1.00 1.15 C ATOM 873 CG ASP A 57 20.838 -10.122 -12.761 1.00 1.69 C ATOM 874 OD1 ASP A 57 21.349 -9.061 -13.178 1.00 2.48 O ATOM 875 OD2 ASP A 57 21.390 -11.238 -12.872 1.00 2.20 O ATOM 0 H ASP A 57 19.843 -11.769 -10.335 1.00 1.00 H new ATOM 0 HA ASP A 57 20.462 -9.103 -10.431 1.00 1.01 H new ATOM 0 HB2 ASP A 57 18.974 -11.012 -12.202 1.00 1.15 H new ATOM 0 HB3 ASP A 57 18.866 -9.307 -12.595 1.00 1.15 H new ATOM 880 N GLU A 58 17.243 -9.646 -10.012 1.00 0.94 N ATOM 881 CA GLU A 58 15.983 -9.024 -9.638 1.00 0.95 C ATOM 882 C GLU A 58 16.215 -8.094 -8.467 1.00 0.87 C ATOM 883 O GLU A 58 15.638 -7.011 -8.390 1.00 0.90 O ATOM 884 CB GLU A 58 14.944 -10.086 -9.269 1.00 0.98 C ATOM 885 CG GLU A 58 13.563 -9.514 -9.003 1.00 1.43 C ATOM 886 CD GLU A 58 12.559 -10.581 -8.614 1.00 1.80 C ATOM 887 OE1 GLU A 58 12.481 -10.912 -7.412 1.00 2.42 O ATOM 888 OE2 GLU A 58 11.852 -11.087 -9.510 1.00 2.29 O ATOM 0 H GLU A 58 17.205 -10.662 -10.091 1.00 0.94 H new ATOM 0 HA GLU A 58 15.601 -8.456 -10.486 1.00 0.95 H new ATOM 0 HB2 GLU A 58 14.878 -10.814 -10.077 1.00 0.98 H new ATOM 0 HB3 GLU A 58 15.283 -10.623 -8.383 1.00 0.98 H new ATOM 0 HG2 GLU A 58 13.627 -8.772 -8.207 1.00 1.43 H new ATOM 0 HG3 GLU A 58 13.210 -8.995 -9.894 1.00 1.43 H new ATOM 895 N LYS A 59 17.089 -8.528 -7.570 1.00 0.81 N ATOM 896 CA LYS A 59 17.425 -7.749 -6.402 1.00 0.76 C ATOM 897 C LYS A 59 18.384 -6.615 -6.738 1.00 0.80 C ATOM 898 O LYS A 59 18.446 -5.625 -6.015 1.00 0.79 O ATOM 899 CB LYS A 59 17.998 -8.643 -5.302 1.00 0.75 C ATOM 900 CG LYS A 59 17.021 -9.704 -4.803 1.00 0.75 C ATOM 901 CD LYS A 59 17.710 -10.722 -3.907 1.00 1.14 C ATOM 902 CE LYS A 59 18.829 -11.447 -4.632 1.00 1.95 C ATOM 903 NZ LYS A 59 19.409 -12.543 -3.807 1.00 2.67 N ATOM 0 H LYS A 59 17.577 -9.421 -7.636 1.00 0.81 H new ATOM 0 HA LYS A 59 16.505 -7.296 -6.032 1.00 0.76 H new ATOM 0 HB2 LYS A 59 18.895 -9.135 -5.677 1.00 0.75 H new ATOM 0 HB3 LYS A 59 18.304 -8.020 -4.462 1.00 0.75 H new ATOM 0 HG2 LYS A 59 16.211 -9.224 -4.254 1.00 0.75 H new ATOM 0 HG3 LYS A 59 16.570 -10.214 -5.655 1.00 0.75 H new ATOM 0 HD2 LYS A 59 18.113 -10.219 -3.028 1.00 1.14 H new ATOM 0 HD3 LYS A 59 16.978 -11.447 -3.551 1.00 1.14 H new ATOM 0 HE2 LYS A 59 18.448 -11.859 -5.567 1.00 1.95 H new ATOM 0 HE3 LYS A 59 19.613 -10.736 -4.893 1.00 1.95 H new ATOM 0 HZ1 LYS A 59 20.170 -13.012 -4.339 1.00 2.67 H new ATOM 0 HZ2 LYS A 59 19.795 -12.147 -2.926 1.00 2.67 H new ATOM 0 HZ3 LYS A 59 18.667 -13.236 -3.579 1.00 2.67 H new ATOM 917 N MET A 60 19.133 -6.762 -7.828 1.00 0.86 N ATOM 918 CA MET A 60 20.073 -5.735 -8.246 1.00 0.92 C ATOM 919 C MET A 60 19.373 -4.618 -9.015 1.00 0.96 C ATOM 920 O MET A 60 19.632 -3.436 -8.791 1.00 1.01 O ATOM 921 CB MET A 60 21.191 -6.341 -9.095 1.00 1.00 C ATOM 922 CG MET A 60 22.040 -7.354 -8.344 1.00 1.00 C ATOM 923 SD MET A 60 23.396 -8.000 -9.340 1.00 1.73 S ATOM 924 CE MET A 60 24.343 -6.509 -9.635 1.00 2.31 C ATOM 0 H MET A 60 19.105 -7.582 -8.434 1.00 0.86 H new ATOM 0 HA MET A 60 20.510 -5.302 -7.346 1.00 0.92 H new ATOM 0 HB2 MET A 60 20.753 -6.823 -9.969 1.00 1.00 H new ATOM 0 HB3 MET A 60 21.833 -5.540 -9.461 1.00 1.00 H new ATOM 0 HG2 MET A 60 22.445 -6.888 -7.446 1.00 1.00 H new ATOM 0 HG3 MET A 60 21.409 -8.180 -8.018 1.00 1.00 H new ATOM 0 HE1 MET A 60 25.371 -6.774 -9.881 1.00 2.31 H new ATOM 0 HE2 MET A 60 23.902 -5.956 -10.465 1.00 2.31 H new ATOM 0 HE3 MET A 60 24.333 -5.888 -8.739 1.00 2.31 H new ATOM 934 N LYS A 61 18.497 -5.004 -9.929 1.00 0.97 N ATOM 935 CA LYS A 61 17.754 -4.046 -10.737 1.00 1.02 C ATOM 936 C LYS A 61 16.786 -3.245 -9.880 1.00 0.96 C ATOM 937 O LYS A 61 16.752 -2.016 -9.941 1.00 0.92 O ATOM 938 CB LYS A 61 16.984 -4.785 -11.832 1.00 1.08 C ATOM 939 CG LYS A 61 15.962 -3.924 -12.555 1.00 1.55 C ATOM 940 CD LYS A 61 15.191 -4.726 -13.591 1.00 2.07 C ATOM 941 CE LYS A 61 16.121 -5.335 -14.626 1.00 2.59 C ATOM 942 NZ LYS A 61 16.906 -4.295 -15.349 1.00 3.16 N ATOM 0 H LYS A 61 18.281 -5.980 -10.132 1.00 0.97 H new ATOM 0 HA LYS A 61 18.464 -3.354 -11.190 1.00 1.02 H new ATOM 0 HB2 LYS A 61 17.694 -5.177 -12.560 1.00 1.08 H new ATOM 0 HB3 LYS A 61 16.475 -5.641 -11.390 1.00 1.08 H new ATOM 0 HG2 LYS A 61 15.267 -3.498 -11.832 1.00 1.55 H new ATOM 0 HG3 LYS A 61 16.467 -3.089 -13.041 1.00 1.55 H new ATOM 0 HD2 LYS A 61 14.628 -5.517 -13.096 1.00 2.07 H new ATOM 0 HD3 LYS A 61 14.466 -4.081 -14.087 1.00 2.07 H new ATOM 0 HE2 LYS A 61 16.803 -6.030 -14.137 1.00 2.59 H new ATOM 0 HE3 LYS A 61 15.538 -5.913 -15.343 1.00 2.59 H new ATOM 0 HZ1 LYS A 61 17.385 -4.726 -16.165 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 16.266 -3.545 -15.680 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 17.616 -3.887 -14.707 1.00 3.16 H new ATOM 956 N THR A 62 16.001 -3.952 -9.083 1.00 0.98 N ATOM 957 CA THR A 62 15.017 -3.318 -8.223 1.00 0.96 C ATOM 958 C THR A 62 15.606 -2.142 -7.456 1.00 0.86 C ATOM 959 O THR A 62 14.878 -1.247 -7.032 1.00 0.84 O ATOM 960 CB THR A 62 14.406 -4.332 -7.238 1.00 1.02 C ATOM 961 OG1 THR A 62 13.779 -5.401 -7.963 1.00 1.12 O ATOM 962 CG2 THR A 62 13.383 -3.663 -6.332 1.00 1.05 C ATOM 0 H THR A 62 16.027 -4.969 -9.014 1.00 0.98 H new ATOM 0 HA THR A 62 14.229 -2.937 -8.873 1.00 0.96 H new ATOM 0 HB THR A 62 15.209 -4.731 -6.619 1.00 1.02 H new ATOM 0 HG1 THR A 62 14.459 -5.903 -8.459 1.00 1.12 H new ATOM 0 HG21 THR A 62 12.967 -4.401 -5.646 1.00 1.05 H new ATOM 0 HG22 THR A 62 13.866 -2.869 -5.762 1.00 1.05 H new ATOM 0 HG23 THR A 62 12.583 -3.239 -6.938 1.00 1.05 H new ATOM 970 N LEU A 63 16.922 -2.143 -7.267 1.00 0.86 N ATOM 971 CA LEU A 63 17.570 -1.045 -6.568 1.00 0.84 C ATOM 972 C LEU A 63 17.239 0.278 -7.245 1.00 0.80 C ATOM 973 O LEU A 63 16.358 1.015 -6.803 1.00 0.89 O ATOM 974 CB LEU A 63 19.086 -1.226 -6.534 1.00 0.95 C ATOM 975 CG LEU A 63 19.620 -2.086 -5.390 1.00 0.92 C ATOM 976 CD1 LEU A 63 19.996 -3.464 -5.894 1.00 1.05 C ATOM 977 CD2 LEU A 63 20.818 -1.416 -4.739 1.00 1.40 C ATOM 0 H LEU A 63 17.551 -2.881 -7.584 1.00 0.86 H new ATOM 0 HA LEU A 63 17.196 -1.040 -5.544 1.00 0.84 H new ATOM 0 HB2 LEU A 63 19.403 -1.670 -7.478 1.00 0.95 H new ATOM 0 HB3 LEU A 63 19.551 -0.242 -6.473 1.00 0.95 H new ATOM 0 HG LEU A 63 18.834 -2.194 -4.643 1.00 0.92 H new ATOM 0 HD11 LEU A 63 20.375 -4.063 -5.066 1.00 1.05 H new ATOM 0 HD12 LEU A 63 19.117 -3.948 -6.320 1.00 1.05 H new ATOM 0 HD13 LEU A 63 20.767 -3.374 -6.659 1.00 1.05 H new ATOM 0 HD21 LEU A 63 21.187 -2.041 -3.926 1.00 1.40 H new ATOM 0 HD22 LEU A 63 21.606 -1.281 -5.480 1.00 1.40 H new ATOM 0 HD23 LEU A 63 20.521 -0.444 -4.344 1.00 1.40 H new ATOM 989 N ASP A 64 17.941 0.568 -8.335 1.00 0.79 N ATOM 990 CA ASP A 64 17.718 1.810 -9.067 1.00 0.82 C ATOM 991 C ASP A 64 16.237 2.013 -9.357 1.00 0.82 C ATOM 992 O ASP A 64 15.788 3.139 -9.561 1.00 0.89 O ATOM 993 CB ASP A 64 18.504 1.830 -10.371 1.00 0.91 C ATOM 994 CG ASP A 64 19.993 1.640 -10.157 1.00 1.35 C ATOM 995 OD1 ASP A 64 20.442 0.477 -10.095 1.00 2.05 O ATOM 996 OD2 ASP A 64 20.712 2.657 -10.053 1.00 1.99 O ATOM 0 H ASP A 64 18.664 -0.034 -8.729 1.00 0.79 H new ATOM 0 HA ASP A 64 18.069 2.626 -8.436 1.00 0.82 H new ATOM 0 HB2 ASP A 64 18.132 1.043 -11.027 1.00 0.91 H new ATOM 0 HB3 ASP A 64 18.332 2.778 -10.880 1.00 0.91 H new ATOM 1001 N VAL A 65 15.485 0.918 -9.398 1.00 0.82 N ATOM 1002 CA VAL A 65 14.053 0.998 -9.639 1.00 0.87 C ATOM 1003 C VAL A 65 13.357 1.507 -8.382 1.00 0.77 C ATOM 1004 O VAL A 65 12.919 2.656 -8.320 1.00 0.82 O ATOM 1005 CB VAL A 65 13.461 -0.370 -10.049 1.00 0.95 C ATOM 1006 CG1 VAL A 65 11.952 -0.273 -10.215 1.00 1.06 C ATOM 1007 CG2 VAL A 65 14.110 -0.861 -11.335 1.00 1.07 C ATOM 0 H VAL A 65 15.842 -0.028 -9.268 1.00 0.82 H new ATOM 0 HA VAL A 65 13.888 1.689 -10.466 1.00 0.87 H new ATOM 0 HB VAL A 65 13.671 -1.089 -9.257 1.00 0.95 H new ATOM 0 HG11 VAL A 65 11.554 -1.246 -10.504 1.00 1.06 H new ATOM 0 HG12 VAL A 65 11.502 0.038 -9.272 1.00 1.06 H new ATOM 0 HG13 VAL A 65 11.717 0.459 -10.988 1.00 1.06 H new ATOM 0 HG21 VAL A 65 13.684 -1.825 -11.612 1.00 1.07 H new ATOM 0 HG22 VAL A 65 13.928 -0.141 -12.133 1.00 1.07 H new ATOM 0 HG23 VAL A 65 15.184 -0.969 -11.182 1.00 1.07 H new ATOM 1017 N ASN A 66 13.256 0.639 -7.385 1.00 0.72 N ATOM 1018 CA ASN A 66 12.652 0.994 -6.109 1.00 0.68 C ATOM 1019 C ASN A 66 13.659 1.713 -5.226 1.00 0.57 C ATOM 1020 O ASN A 66 13.879 1.317 -4.080 1.00 0.57 O ATOM 1021 CB ASN A 66 12.181 -0.255 -5.377 1.00 0.82 C ATOM 1022 CG ASN A 66 10.967 -0.911 -6.012 1.00 0.81 C ATOM 1023 OD1 ASN A 66 10.897 -2.135 -6.113 1.00 1.51 O ATOM 1024 ND2 ASN A 66 9.993 -0.109 -6.430 1.00 1.10 N ATOM 0 H ASN A 66 13.588 -0.324 -7.437 1.00 0.72 H new ATOM 0 HA ASN A 66 11.804 1.647 -6.314 1.00 0.68 H new ATOM 0 HB2 ASN A 66 12.998 -0.976 -5.344 1.00 0.82 H new ATOM 0 HB3 ASN A 66 11.944 0.006 -4.345 1.00 0.82 H new ATOM 0 HD21 ASN A 66 9.152 -0.504 -6.851 1.00 1.10 H new ATOM 0 HD22 ASN A 66 10.086 0.902 -6.330 1.00 1.10 H new ATOM 1031 N GLN A 67 14.266 2.767 -5.735 1.00 0.62 N ATOM 1032 CA GLN A 67 15.252 3.477 -4.952 1.00 0.68 C ATOM 1033 C GLN A 67 14.573 4.375 -3.933 1.00 0.61 C ATOM 1034 O GLN A 67 14.830 4.289 -2.738 1.00 0.66 O ATOM 1035 CB GLN A 67 16.207 4.262 -5.863 1.00 0.88 C ATOM 1036 CG GLN A 67 15.687 5.582 -6.375 1.00 0.74 C ATOM 1037 CD GLN A 67 14.518 5.452 -7.324 1.00 1.15 C ATOM 1038 OE1 GLN A 67 14.446 4.526 -8.128 1.00 1.97 O ATOM 1039 NE2 GLN A 67 13.581 6.381 -7.206 1.00 1.36 N ATOM 0 H GLN A 67 14.098 3.143 -6.668 1.00 0.62 H new ATOM 0 HA GLN A 67 15.853 2.753 -4.402 1.00 0.68 H new ATOM 0 HB2 GLN A 67 17.132 4.444 -5.317 1.00 0.88 H new ATOM 0 HB3 GLN A 67 16.460 3.636 -6.719 1.00 0.88 H new ATOM 0 HG2 GLN A 67 15.387 6.197 -5.527 1.00 0.74 H new ATOM 0 HG3 GLN A 67 16.496 6.109 -6.881 1.00 0.74 H new ATOM 0 HE21 GLN A 67 13.689 7.130 -6.522 1.00 1.36 H new ATOM 0 HE22 GLN A 67 12.752 6.347 -7.799 1.00 1.36 H new ATOM 1048 N ASP A 68 13.678 5.212 -4.406 1.00 0.59 N ATOM 1049 CA ASP A 68 12.964 6.131 -3.548 1.00 0.62 C ATOM 1050 C ASP A 68 11.692 5.508 -2.996 1.00 0.59 C ATOM 1051 O ASP A 68 10.804 6.224 -2.543 1.00 0.66 O ATOM 1052 CB ASP A 68 12.669 7.432 -4.279 1.00 0.74 C ATOM 1053 CG ASP A 68 13.918 8.268 -4.479 1.00 1.00 C ATOM 1054 OD1 ASP A 68 14.550 8.641 -3.471 1.00 1.62 O ATOM 1055 OD2 ASP A 68 14.267 8.544 -5.646 1.00 1.51 O ATOM 0 H ASP A 68 13.425 5.275 -5.392 1.00 0.59 H new ATOM 0 HA ASP A 68 13.606 6.359 -2.697 1.00 0.62 H new ATOM 0 HB2 ASP A 68 12.223 7.210 -5.248 1.00 0.74 H new ATOM 0 HB3 ASP A 68 11.935 8.007 -3.714 1.00 0.74 H new ATOM 1060 N SER A 69 11.636 4.164 -2.986 1.00 0.56 N ATOM 1061 CA SER A 69 10.470 3.412 -2.508 1.00 0.59 C ATOM 1062 C SER A 69 9.916 4.087 -1.282 1.00 0.63 C ATOM 1063 O SER A 69 8.712 4.111 -1.039 1.00 0.75 O ATOM 1064 CB SER A 69 10.864 1.965 -2.197 1.00 0.68 C ATOM 1065 OG SER A 69 10.051 1.420 -1.174 1.00 1.75 O ATOM 0 H SER A 69 12.400 3.572 -3.310 1.00 0.56 H new ATOM 0 HA SER A 69 9.704 3.394 -3.283 1.00 0.59 H new ATOM 0 HB2 SER A 69 10.773 1.359 -3.099 1.00 0.68 H new ATOM 0 HB3 SER A 69 11.910 1.928 -1.892 1.00 0.68 H new ATOM 0 HG SER A 69 10.135 0.444 -1.175 1.00 1.75 H new ATOM 1071 N GLU A 70 10.841 4.639 -0.525 1.00 0.64 N ATOM 1072 CA GLU A 70 10.511 5.414 0.645 1.00 0.76 C ATOM 1073 C GLU A 70 10.846 6.838 0.330 1.00 0.78 C ATOM 1074 O GLU A 70 11.749 7.111 -0.463 1.00 0.81 O ATOM 1075 CB GLU A 70 11.299 4.969 1.867 1.00 0.85 C ATOM 1076 CG GLU A 70 11.700 6.117 2.817 1.00 1.33 C ATOM 1077 CD GLU A 70 10.521 6.782 3.497 1.00 2.19 C ATOM 1078 OE1 GLU A 70 9.378 6.565 3.043 1.00 2.88 O ATOM 1079 OE2 GLU A 70 10.738 7.513 4.484 1.00 2.72 O ATOM 0 H GLU A 70 11.842 4.561 -0.706 1.00 0.64 H new ATOM 0 HA GLU A 70 9.455 5.282 0.882 1.00 0.76 H new ATOM 0 HB2 GLU A 70 10.705 4.244 2.423 1.00 0.85 H new ATOM 0 HB3 GLU A 70 12.201 4.455 1.536 1.00 0.85 H new ATOM 0 HG2 GLU A 70 12.376 5.728 3.579 1.00 1.33 H new ATOM 0 HG3 GLU A 70 12.254 6.867 2.253 1.00 1.33 H new ATOM 1086 N LEU A 71 10.137 7.744 0.936 1.00 0.79 N ATOM 1087 CA LEU A 71 10.406 9.105 0.690 1.00 0.83 C ATOM 1088 C LEU A 71 10.189 10.016 1.906 1.00 0.81 C ATOM 1089 O LEU A 71 9.444 9.703 2.818 1.00 0.86 O ATOM 1090 CB LEU A 71 9.535 9.440 -0.474 1.00 0.99 C ATOM 1091 CG LEU A 71 9.319 10.868 -0.746 1.00 0.79 C ATOM 1092 CD1 LEU A 71 8.419 11.561 0.268 1.00 1.89 C ATOM 1093 CD2 LEU A 71 10.643 11.524 -0.962 1.00 1.26 C ATOM 0 H LEU A 71 9.380 7.556 1.594 1.00 0.79 H new ATOM 0 HA LEU A 71 11.461 9.275 0.475 1.00 0.83 H new ATOM 0 HB2 LEU A 71 9.968 8.985 -1.365 1.00 0.99 H new ATOM 0 HB3 LEU A 71 8.563 8.972 -0.318 1.00 0.99 H new ATOM 0 HG LEU A 71 8.743 10.969 -1.666 1.00 0.79 H new ATOM 0 HD11 LEU A 71 8.308 12.611 -0.002 1.00 1.89 H new ATOM 0 HD12 LEU A 71 7.440 11.082 0.272 1.00 1.89 H new ATOM 0 HD13 LEU A 71 8.864 11.486 1.260 1.00 1.89 H new ATOM 0 HD21 LEU A 71 10.495 12.585 -1.165 1.00 1.26 H new ATOM 0 HD22 LEU A 71 11.257 11.408 -0.069 1.00 1.26 H new ATOM 0 HD23 LEU A 71 11.145 11.059 -1.810 1.00 1.26 H new ATOM 1105 N ARG A 72 10.952 11.090 1.959 1.00 0.77 N ATOM 1106 CA ARG A 72 10.806 12.103 2.985 1.00 0.79 C ATOM 1107 C ARG A 72 10.326 13.395 2.309 1.00 0.68 C ATOM 1108 O ARG A 72 9.561 14.164 2.883 1.00 0.75 O ATOM 1109 CB ARG A 72 12.132 12.325 3.718 1.00 0.91 C ATOM 1110 CG ARG A 72 13.055 11.111 3.730 1.00 1.00 C ATOM 1111 CD ARG A 72 12.316 9.808 3.987 1.00 1.06 C ATOM 1112 NE ARG A 72 11.112 9.989 4.796 1.00 1.30 N ATOM 1113 CZ ARG A 72 11.130 10.151 6.114 1.00 1.18 C ATOM 1114 NH1 ARG A 72 12.284 10.173 6.765 1.00 1.56 N ATOM 1115 NH2 ARG A 72 9.993 10.291 6.782 1.00 1.42 N ATOM 0 H ARG A 72 11.695 11.285 1.288 1.00 0.77 H new ATOM 0 HA ARG A 72 10.078 11.783 3.730 1.00 0.79 H new ATOM 0 HB2 ARG A 72 12.656 13.160 3.252 1.00 0.91 H new ATOM 0 HB3 ARG A 72 11.920 12.616 4.747 1.00 0.91 H new ATOM 0 HG2 ARG A 72 13.574 11.046 2.774 1.00 1.00 H new ATOM 0 HG3 ARG A 72 13.817 11.248 4.497 1.00 1.00 H new ATOM 0 HD2 ARG A 72 12.043 9.357 3.033 1.00 1.06 H new ATOM 0 HD3 ARG A 72 12.985 9.110 4.490 1.00 1.06 H new ATOM 0 HE ARG A 72 10.209 9.991 4.322 1.00 1.30 H new ATOM 0 HH11 ARG A 72 13.160 10.065 6.254 1.00 1.56 H new ATOM 0 HH12 ARG A 72 12.296 10.298 7.777 1.00 1.56 H new ATOM 0 HH21 ARG A 72 9.103 10.274 6.284 1.00 1.42 H new ATOM 0 HH22 ARG A 72 10.008 10.415 7.794 1.00 1.42 H new ATOM 1129 N PHE A 73 10.765 13.589 1.052 1.00 0.60 N ATOM 1130 CA PHE A 73 10.364 14.743 0.245 1.00 0.57 C ATOM 1131 C PHE A 73 9.172 14.420 -0.723 1.00 0.51 C ATOM 1132 O PHE A 73 8.059 14.295 -0.251 1.00 0.63 O ATOM 1133 CB PHE A 73 11.594 15.405 -0.453 1.00 0.64 C ATOM 1134 CG PHE A 73 12.165 14.739 -1.689 1.00 0.58 C ATOM 1135 CD1 PHE A 73 12.614 13.430 -1.678 1.00 1.36 C ATOM 1136 CD2 PHE A 73 12.230 15.440 -2.883 1.00 1.24 C ATOM 1137 CE1 PHE A 73 13.105 12.831 -2.809 1.00 1.44 C ATOM 1138 CE2 PHE A 73 12.728 14.846 -4.027 1.00 1.31 C ATOM 1139 CZ PHE A 73 13.164 13.537 -3.992 1.00 0.86 C ATOM 0 H PHE A 73 11.403 12.952 0.575 1.00 0.60 H new ATOM 0 HA PHE A 73 9.965 15.497 0.923 1.00 0.57 H new ATOM 0 HB2 PHE A 73 11.314 16.423 -0.724 1.00 0.64 H new ATOM 0 HB3 PHE A 73 12.394 15.479 0.284 1.00 0.64 H new ATOM 0 HD1 PHE A 73 12.577 12.867 -0.757 1.00 1.36 H new ATOM 0 HD2 PHE A 73 11.887 16.463 -2.920 1.00 1.24 H new ATOM 0 HE1 PHE A 73 13.445 11.807 -2.774 1.00 1.44 H new ATOM 0 HE2 PHE A 73 12.776 15.406 -4.949 1.00 1.31 H new ATOM 0 HZ PHE A 73 13.549 13.069 -4.886 1.00 0.86 H new ATOM 1149 N SER A 74 9.354 14.205 -2.039 1.00 0.48 N ATOM 1150 CA SER A 74 8.181 13.993 -2.919 1.00 0.46 C ATOM 1151 C SER A 74 8.099 12.619 -3.547 1.00 0.42 C ATOM 1152 O SER A 74 7.060 12.239 -4.088 1.00 0.47 O ATOM 1153 CB SER A 74 8.142 15.035 -4.033 1.00 0.60 C ATOM 1154 OG SER A 74 9.451 15.386 -4.452 1.00 1.01 O ATOM 0 H SER A 74 10.260 14.173 -2.506 1.00 0.48 H new ATOM 0 HA SER A 74 7.323 14.092 -2.254 1.00 0.46 H new ATOM 0 HB2 SER A 74 7.578 14.645 -4.880 1.00 0.60 H new ATOM 0 HB3 SER A 74 7.618 15.925 -3.684 1.00 0.60 H new ATOM 0 HG SER A 74 9.397 16.054 -5.167 1.00 1.01 H new ATOM 1160 N GLU A 75 9.166 11.881 -3.479 1.00 0.43 N ATOM 1161 CA GLU A 75 9.202 10.525 -4.045 1.00 0.42 C ATOM 1162 C GLU A 75 8.274 9.497 -3.341 1.00 0.42 C ATOM 1163 O GLU A 75 8.463 8.293 -3.509 1.00 0.55 O ATOM 1164 CB GLU A 75 10.623 9.986 -3.976 1.00 0.44 C ATOM 1165 CG GLU A 75 11.673 10.908 -4.548 1.00 0.60 C ATOM 1166 CD GLU A 75 11.783 10.810 -6.057 1.00 0.93 C ATOM 1167 OE1 GLU A 75 12.430 9.859 -6.545 1.00 1.60 O ATOM 1168 OE2 GLU A 75 11.220 11.683 -6.751 1.00 1.42 O ATOM 0 H GLU A 75 10.037 12.178 -3.039 1.00 0.43 H new ATOM 0 HA GLU A 75 8.841 10.633 -5.068 1.00 0.42 H new ATOM 0 HB2 GLU A 75 10.869 9.779 -2.935 1.00 0.44 H new ATOM 0 HB3 GLU A 75 10.664 9.036 -4.508 1.00 0.44 H new ATOM 0 HG2 GLU A 75 11.437 11.936 -4.272 1.00 0.60 H new ATOM 0 HG3 GLU A 75 12.639 10.672 -4.102 1.00 0.60 H new ATOM 1175 N TYR A 76 7.282 9.953 -2.565 1.00 0.38 N ATOM 1176 CA TYR A 76 6.403 9.050 -1.843 1.00 0.38 C ATOM 1177 C TYR A 76 5.602 8.223 -2.801 1.00 0.39 C ATOM 1178 O TYR A 76 5.211 7.101 -2.498 1.00 0.43 O ATOM 1179 CB TYR A 76 5.500 9.836 -0.889 1.00 0.40 C ATOM 1180 CG TYR A 76 5.944 9.826 0.547 1.00 0.41 C ATOM 1181 CD1 TYR A 76 6.718 8.799 1.050 1.00 1.22 C ATOM 1182 CD2 TYR A 76 5.611 10.869 1.394 1.00 1.29 C ATOM 1183 CE1 TYR A 76 7.146 8.790 2.329 1.00 1.25 C ATOM 1184 CE2 TYR A 76 6.044 10.876 2.702 1.00 1.30 C ATOM 1185 CZ TYR A 76 6.816 9.833 3.170 1.00 0.49 C ATOM 1186 OH TYR A 76 7.253 9.831 4.475 1.00 0.55 O ATOM 0 H TYR A 76 7.076 10.942 -2.427 1.00 0.38 H new ATOM 0 HA TYR A 76 7.009 8.370 -1.244 1.00 0.38 H new ATOM 0 HB2 TYR A 76 5.445 10.869 -1.231 1.00 0.40 H new ATOM 0 HB3 TYR A 76 4.491 9.427 -0.946 1.00 0.40 H new ATOM 0 HD1 TYR A 76 6.988 7.979 0.401 1.00 1.22 H new ATOM 0 HD2 TYR A 76 5.006 11.685 1.026 1.00 1.29 H new ATOM 0 HE1 TYR A 76 7.745 7.969 2.694 1.00 1.25 H new ATOM 0 HE2 TYR A 76 5.781 11.693 3.357 1.00 1.30 H new ATOM 0 HH TYR A 76 8.231 9.768 4.492 1.00 0.55 H new ATOM 1196 N TRP A 77 5.413 8.749 -3.988 1.00 0.39 N ATOM 1197 CA TRP A 77 4.709 8.013 -5.012 1.00 0.43 C ATOM 1198 C TRP A 77 5.456 6.705 -5.286 1.00 0.45 C ATOM 1199 O TRP A 77 4.928 5.811 -5.941 1.00 0.49 O ATOM 1200 CB TRP A 77 4.624 8.831 -6.296 1.00 0.44 C ATOM 1201 CG TRP A 77 5.971 9.091 -6.880 1.00 0.44 C ATOM 1202 CD1 TRP A 77 6.828 8.163 -7.386 1.00 0.49 C ATOM 1203 CD2 TRP A 77 6.628 10.355 -7.001 1.00 0.45 C ATOM 1204 NE1 TRP A 77 7.978 8.766 -7.810 1.00 0.52 N ATOM 1205 CE2 TRP A 77 7.881 10.116 -7.590 1.00 0.50 C ATOM 1206 CE3 TRP A 77 6.274 11.662 -6.672 1.00 0.46 C ATOM 1207 CZ2 TRP A 77 8.786 11.141 -7.854 1.00 0.55 C ATOM 1208 CZ3 TRP A 77 7.171 12.679 -6.933 1.00 0.51 C ATOM 1209 CH2 TRP A 77 8.414 12.415 -7.519 1.00 0.55 C ATOM 0 H TRP A 77 5.734 9.676 -4.268 1.00 0.39 H new ATOM 0 HA TRP A 77 3.696 7.802 -4.668 1.00 0.43 H new ATOM 0 HB2 TRP A 77 4.009 8.302 -7.024 1.00 0.44 H new ATOM 0 HB3 TRP A 77 4.128 9.780 -6.090 1.00 0.44 H new ATOM 0 HD1 TRP A 77 6.628 7.103 -7.444 1.00 0.49 H new ATOM 0 HE1 TRP A 77 8.779 8.289 -8.223 1.00 0.52 H new ATOM 0 HE3 TRP A 77 5.316 11.876 -6.221 1.00 0.46 H new ATOM 0 HZ2 TRP A 77 9.746 10.938 -8.306 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 6.909 13.696 -6.680 1.00 0.51 H new ATOM 0 HH2 TRP A 77 9.093 13.233 -7.711 1.00 0.55 H new ATOM 1220 N ARG A 78 6.700 6.597 -4.781 1.00 0.43 N ATOM 1221 CA ARG A 78 7.490 5.403 -4.983 1.00 0.47 C ATOM 1222 C ARG A 78 6.943 4.314 -4.086 1.00 0.49 C ATOM 1223 O ARG A 78 6.980 3.140 -4.435 1.00 0.61 O ATOM 1224 CB ARG A 78 8.968 5.687 -4.694 1.00 0.50 C ATOM 1225 CG ARG A 78 9.563 6.743 -5.607 1.00 0.60 C ATOM 1226 CD ARG A 78 10.127 6.137 -6.884 1.00 0.77 C ATOM 1227 NE ARG A 78 9.087 5.547 -7.722 1.00 1.48 N ATOM 1228 CZ ARG A 78 9.322 4.612 -8.637 1.00 1.75 C ATOM 1229 NH1 ARG A 78 10.556 4.171 -8.839 1.00 1.37 N ATOM 1230 NH2 ARG A 78 8.322 4.120 -9.357 1.00 2.82 N ATOM 0 H ARG A 78 7.162 7.325 -4.236 1.00 0.43 H new ATOM 0 HA ARG A 78 7.426 5.075 -6.020 1.00 0.47 H new ATOM 0 HB2 ARG A 78 9.074 6.010 -3.658 1.00 0.50 H new ATOM 0 HB3 ARG A 78 9.536 4.763 -4.799 1.00 0.50 H new ATOM 0 HG2 ARG A 78 8.798 7.477 -5.861 1.00 0.60 H new ATOM 0 HG3 ARG A 78 10.353 7.276 -5.079 1.00 0.60 H new ATOM 0 HD2 ARG A 78 10.652 6.908 -7.448 1.00 0.77 H new ATOM 0 HD3 ARG A 78 10.861 5.373 -6.628 1.00 0.77 H new ATOM 0 HE ARG A 78 8.127 5.870 -7.598 1.00 1.48 H new ATOM 0 HH11 ARG A 78 11.329 4.549 -8.291 1.00 1.37 H new ATOM 0 HH12 ARG A 78 10.732 3.453 -9.542 1.00 1.37 H new ATOM 0 HH21 ARG A 78 7.372 4.459 -9.209 1.00 2.82 H new ATOM 0 HH22 ARG A 78 8.504 3.403 -10.059 1.00 2.82 H new ATOM 1244 N LEU A 79 6.416 4.720 -2.926 1.00 0.43 N ATOM 1245 CA LEU A 79 5.806 3.767 -2.014 1.00 0.46 C ATOM 1246 C LEU A 79 4.496 3.267 -2.613 1.00 0.47 C ATOM 1247 O LEU A 79 3.930 2.276 -2.153 1.00 0.53 O ATOM 1248 CB LEU A 79 5.484 4.344 -0.622 1.00 0.55 C ATOM 1249 CG LEU A 79 6.118 5.679 -0.208 1.00 0.63 C ATOM 1250 CD1 LEU A 79 5.019 6.651 0.212 1.00 1.24 C ATOM 1251 CD2 LEU A 79 7.077 5.464 0.952 1.00 0.89 C ATOM 0 H LEU A 79 6.402 5.688 -2.606 1.00 0.43 H new ATOM 0 HA LEU A 79 6.540 2.972 -1.882 1.00 0.46 H new ATOM 0 HB2 LEU A 79 4.402 4.458 -0.555 1.00 0.55 H new ATOM 0 HB3 LEU A 79 5.773 3.598 0.119 1.00 0.55 H new ATOM 0 HG LEU A 79 6.670 6.091 -1.053 1.00 0.63 H new ATOM 0 HD11 LEU A 79 5.466 7.600 0.507 1.00 1.24 H new ATOM 0 HD12 LEU A 79 4.339 6.814 -0.624 1.00 1.24 H new ATOM 0 HD13 LEU A 79 4.466 6.234 1.054 1.00 1.24 H new ATOM 0 HD21 LEU A 79 7.521 6.417 1.238 1.00 0.89 H new ATOM 0 HD22 LEU A 79 6.534 5.048 1.801 1.00 0.89 H new ATOM 0 HD23 LEU A 79 7.864 4.773 0.650 1.00 0.89 H new ATOM 1263 N ILE A 80 4.010 3.960 -3.641 1.00 0.46 N ATOM 1264 CA ILE A 80 2.753 3.600 -4.254 1.00 0.49 C ATOM 1265 C ILE A 80 2.697 2.108 -4.589 1.00 0.49 C ATOM 1266 O ILE A 80 1.796 1.401 -4.137 1.00 0.51 O ATOM 1267 CB ILE A 80 2.445 4.500 -5.486 1.00 0.53 C ATOM 1268 CG1 ILE A 80 0.936 4.647 -5.680 1.00 0.60 C ATOM 1269 CG2 ILE A 80 3.087 3.969 -6.752 1.00 0.57 C ATOM 1270 CD1 ILE A 80 0.563 5.536 -6.847 1.00 1.16 C ATOM 0 H ILE A 80 4.472 4.768 -4.058 1.00 0.46 H new ATOM 0 HA ILE A 80 1.963 3.783 -3.526 1.00 0.49 H new ATOM 0 HB ILE A 80 2.876 5.481 -5.285 1.00 0.53 H new ATOM 0 HG12 ILE A 80 0.499 3.660 -5.831 1.00 0.60 H new ATOM 0 HG13 ILE A 80 0.498 5.054 -4.769 1.00 0.60 H new ATOM 0 HG21 ILE A 80 2.846 4.628 -7.586 1.00 0.57 H new ATOM 0 HG22 ILE A 80 4.169 3.929 -6.622 1.00 0.57 H new ATOM 0 HG23 ILE A 80 2.709 2.968 -6.959 1.00 0.57 H new ATOM 0 HD11 ILE A 80 -0.522 5.596 -6.926 1.00 1.16 H new ATOM 0 HD12 ILE A 80 0.971 6.534 -6.689 1.00 1.16 H new ATOM 0 HD13 ILE A 80 0.972 5.119 -7.767 1.00 1.16 H new ATOM 1282 N GLY A 81 3.652 1.628 -5.377 1.00 0.48 N ATOM 1283 CA GLY A 81 3.690 0.218 -5.705 1.00 0.49 C ATOM 1284 C GLY A 81 4.370 -0.595 -4.617 1.00 0.43 C ATOM 1285 O GLY A 81 4.527 -1.808 -4.747 1.00 0.43 O ATOM 0 H GLY A 81 4.397 2.188 -5.792 1.00 0.48 H new ATOM 0 HA2 GLY A 81 2.674 -0.149 -5.852 1.00 0.49 H new ATOM 0 HA3 GLY A 81 4.219 0.078 -6.648 1.00 0.49 H new ATOM 1289 N GLU A 82 4.773 0.079 -3.536 1.00 0.41 N ATOM 1290 CA GLU A 82 5.469 -0.586 -2.437 1.00 0.39 C ATOM 1291 C GLU A 82 4.512 -1.282 -1.500 1.00 0.33 C ATOM 1292 O GLU A 82 4.626 -2.482 -1.261 1.00 0.34 O ATOM 1293 CB GLU A 82 6.310 0.406 -1.666 1.00 0.43 C ATOM 1294 CG GLU A 82 7.516 0.903 -2.451 1.00 0.46 C ATOM 1295 CD GLU A 82 8.514 -0.194 -2.761 1.00 0.71 C ATOM 1296 OE1 GLU A 82 9.125 -0.728 -1.812 1.00 1.47 O ATOM 1297 OE2 GLU A 82 8.683 -0.523 -3.954 1.00 1.39 O ATOM 0 H GLU A 82 4.629 1.080 -3.401 1.00 0.41 H new ATOM 0 HA GLU A 82 6.115 -1.344 -2.879 1.00 0.39 H new ATOM 0 HB2 GLU A 82 5.691 1.258 -1.385 1.00 0.43 H new ATOM 0 HB3 GLU A 82 6.652 -0.058 -0.741 1.00 0.43 H new ATOM 0 HG2 GLU A 82 7.175 1.351 -3.384 1.00 0.46 H new ATOM 0 HG3 GLU A 82 8.013 1.689 -1.883 1.00 0.46 H new ATOM 1304 N LEU A 83 3.559 -0.532 -0.967 1.00 0.34 N ATOM 1305 CA LEU A 83 2.574 -1.115 -0.073 1.00 0.35 C ATOM 1306 C LEU A 83 1.859 -2.261 -0.780 1.00 0.35 C ATOM 1307 O LEU A 83 1.081 -2.986 -0.174 1.00 0.43 O ATOM 1308 CB LEU A 83 1.576 -0.060 0.407 1.00 0.43 C ATOM 1309 CG LEU A 83 2.142 0.996 1.368 1.00 0.50 C ATOM 1310 CD1 LEU A 83 3.118 1.918 0.654 1.00 1.26 C ATOM 1311 CD2 LEU A 83 1.012 1.800 1.992 1.00 1.31 C ATOM 0 H LEU A 83 3.448 0.468 -1.136 1.00 0.34 H new ATOM 0 HA LEU A 83 3.084 -1.506 0.808 1.00 0.35 H new ATOM 0 HB2 LEU A 83 1.165 0.450 -0.465 1.00 0.43 H new ATOM 0 HB3 LEU A 83 0.746 -0.567 0.900 1.00 0.43 H new ATOM 0 HG LEU A 83 2.685 0.479 2.159 1.00 0.50 H new ATOM 0 HD11 LEU A 83 3.503 2.656 1.358 1.00 1.26 H new ATOM 0 HD12 LEU A 83 3.945 1.332 0.253 1.00 1.26 H new ATOM 0 HD13 LEU A 83 2.606 2.428 -0.162 1.00 1.26 H new ATOM 0 HD21 LEU A 83 1.427 2.545 2.671 1.00 1.31 H new ATOM 0 HD22 LEU A 83 0.445 2.301 1.207 1.00 1.31 H new ATOM 0 HD23 LEU A 83 0.353 1.132 2.546 1.00 1.31 H new ATOM 1323 N ALA A 84 2.055 -2.370 -2.089 1.00 0.34 N ATOM 1324 CA ALA A 84 1.503 -3.477 -2.827 1.00 0.37 C ATOM 1325 C ALA A 84 2.390 -4.715 -2.683 1.00 0.41 C ATOM 1326 O ALA A 84 1.890 -5.833 -2.622 1.00 0.48 O ATOM 1327 CB ALA A 84 1.339 -3.103 -4.284 1.00 0.42 C ATOM 0 H ALA A 84 2.589 -1.706 -2.649 1.00 0.34 H new ATOM 0 HA ALA A 84 0.521 -3.714 -2.418 1.00 0.37 H new ATOM 0 HB1 ALA A 84 0.921 -3.948 -4.832 1.00 0.42 H new ATOM 0 HB2 ALA A 84 0.667 -2.249 -4.367 1.00 0.42 H new ATOM 0 HB3 ALA A 84 2.310 -2.843 -4.704 1.00 0.42 H new ATOM 1333 N LYS A 85 3.718 -4.515 -2.633 1.00 0.42 N ATOM 1334 CA LYS A 85 4.668 -5.631 -2.476 1.00 0.51 C ATOM 1335 C LYS A 85 4.158 -6.618 -1.446 1.00 0.50 C ATOM 1336 O LYS A 85 4.377 -7.823 -1.542 1.00 0.67 O ATOM 1337 CB LYS A 85 6.045 -5.111 -2.073 1.00 0.62 C ATOM 1338 CG LYS A 85 6.947 -4.804 -3.265 1.00 1.18 C ATOM 1339 CD LYS A 85 7.835 -3.580 -3.042 1.00 1.42 C ATOM 1340 CE LYS A 85 8.344 -3.484 -1.608 1.00 1.55 C ATOM 1341 NZ LYS A 85 7.574 -2.504 -0.795 1.00 2.69 N ATOM 0 H LYS A 85 4.157 -3.597 -2.699 1.00 0.42 H new ATOM 0 HA LYS A 85 4.758 -6.142 -3.435 1.00 0.51 H new ATOM 0 HB2 LYS A 85 5.924 -4.207 -1.476 1.00 0.62 H new ATOM 0 HB3 LYS A 85 6.533 -5.850 -1.438 1.00 0.62 H new ATOM 0 HG2 LYS A 85 7.576 -5.670 -3.470 1.00 1.18 H new ATOM 0 HG3 LYS A 85 6.330 -4.642 -4.149 1.00 1.18 H new ATOM 0 HD2 LYS A 85 8.684 -3.622 -3.724 1.00 1.42 H new ATOM 0 HD3 LYS A 85 7.274 -2.678 -3.287 1.00 1.42 H new ATOM 0 HE2 LYS A 85 8.286 -4.466 -1.139 1.00 1.55 H new ATOM 0 HE3 LYS A 85 9.395 -3.197 -1.617 1.00 1.55 H new ATOM 0 HZ1 LYS A 85 7.384 -2.906 0.145 1.00 2.69 H new ATOM 0 HZ2 LYS A 85 8.126 -1.629 -0.692 1.00 2.69 H new ATOM 0 HZ3 LYS A 85 6.673 -2.291 -1.269 1.00 2.69 H new ATOM 1355 N GLU A 86 3.475 -6.084 -0.460 1.00 0.45 N ATOM 1356 CA GLU A 86 2.891 -6.890 0.591 1.00 0.45 C ATOM 1357 C GLU A 86 1.565 -7.492 0.133 1.00 0.44 C ATOM 1358 O GLU A 86 1.285 -8.664 0.374 1.00 0.46 O ATOM 1359 CB GLU A 86 2.674 -6.036 1.841 1.00 0.48 C ATOM 1360 CG GLU A 86 1.889 -4.774 1.570 1.00 0.98 C ATOM 1361 CD GLU A 86 1.603 -3.963 2.817 1.00 2.08 C ATOM 1362 OE1 GLU A 86 0.739 -4.382 3.614 1.00 2.91 O ATOM 1363 OE2 GLU A 86 2.235 -2.901 2.991 1.00 2.61 O ATOM 0 H GLU A 86 3.308 -5.083 -0.362 1.00 0.45 H new ATOM 0 HA GLU A 86 3.576 -7.704 0.827 1.00 0.45 H new ATOM 0 HB2 GLU A 86 2.150 -6.628 2.591 1.00 0.48 H new ATOM 0 HB3 GLU A 86 3.643 -5.770 2.264 1.00 0.48 H new ATOM 0 HG2 GLU A 86 2.442 -4.156 0.863 1.00 0.98 H new ATOM 0 HG3 GLU A 86 0.945 -5.038 1.093 1.00 0.98 H new ATOM 1370 N VAL A 87 0.756 -6.678 -0.536 1.00 0.44 N ATOM 1371 CA VAL A 87 -0.554 -7.112 -1.009 1.00 0.46 C ATOM 1372 C VAL A 87 -0.480 -7.914 -2.313 1.00 0.47 C ATOM 1373 O VAL A 87 -1.490 -8.453 -2.770 1.00 0.54 O ATOM 1374 CB VAL A 87 -1.501 -5.892 -1.186 1.00 0.54 C ATOM 1375 CG1 VAL A 87 -2.780 -6.271 -1.923 1.00 1.00 C ATOM 1376 CG2 VAL A 87 -1.817 -5.273 0.166 1.00 0.81 C ATOM 0 H VAL A 87 0.985 -5.711 -0.764 1.00 0.44 H new ATOM 0 HA VAL A 87 -0.956 -7.778 -0.246 1.00 0.46 H new ATOM 0 HB VAL A 87 -0.985 -5.153 -1.799 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -3.415 -5.391 -2.026 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -2.530 -6.656 -2.912 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -3.311 -7.037 -1.359 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -2.481 -4.419 0.029 1.00 0.81 H new ATOM 0 HG22 VAL A 87 -2.304 -6.014 0.800 1.00 0.81 H new ATOM 0 HG23 VAL A 87 -0.893 -4.941 0.639 1.00 0.81 H new ATOM 1386 N ARG A 88 0.697 -8.011 -2.903 1.00 0.50 N ATOM 1387 CA ARG A 88 0.841 -8.740 -4.157 1.00 0.52 C ATOM 1388 C ARG A 88 0.761 -10.248 -3.949 1.00 0.50 C ATOM 1389 O ARG A 88 -0.038 -10.926 -4.593 1.00 0.59 O ATOM 1390 CB ARG A 88 2.151 -8.365 -4.842 1.00 0.56 C ATOM 1391 CG ARG A 88 2.265 -8.905 -6.256 1.00 0.67 C ATOM 1392 CD ARG A 88 3.532 -8.416 -6.938 1.00 1.33 C ATOM 1393 NE ARG A 88 3.648 -8.919 -8.305 1.00 1.83 N ATOM 1394 CZ ARG A 88 4.620 -8.563 -9.139 1.00 2.72 C ATOM 1395 NH1 ARG A 88 5.552 -7.705 -8.747 1.00 3.25 N ATOM 1396 NH2 ARG A 88 4.661 -9.066 -10.365 1.00 3.50 N ATOM 0 H ARG A 88 1.559 -7.601 -2.543 1.00 0.50 H new ATOM 0 HA ARG A 88 0.009 -8.454 -4.801 1.00 0.52 H new ATOM 0 HB2 ARG A 88 2.242 -7.279 -4.867 1.00 0.56 H new ATOM 0 HB3 ARG A 88 2.984 -8.741 -4.248 1.00 0.56 H new ATOM 0 HG2 ARG A 88 2.261 -9.995 -6.232 1.00 0.67 H new ATOM 0 HG3 ARG A 88 1.396 -8.596 -6.836 1.00 0.67 H new ATOM 0 HD2 ARG A 88 3.539 -7.326 -6.951 1.00 1.33 H new ATOM 0 HD3 ARG A 88 4.400 -8.733 -6.360 1.00 1.33 H new ATOM 0 HE ARG A 88 2.945 -9.579 -8.637 1.00 1.83 H new ATOM 0 HH11 ARG A 88 5.524 -7.317 -7.804 1.00 3.25 H new ATOM 0 HH12 ARG A 88 6.297 -7.433 -9.388 1.00 3.25 H new ATOM 0 HH21 ARG A 88 3.946 -9.727 -10.669 1.00 3.50 H new ATOM 0 HH22 ARG A 88 5.407 -8.792 -11.004 1.00 3.50 H new ATOM 1410 N LYS A 89 1.590 -10.770 -3.057 1.00 0.47 N ATOM 1411 CA LYS A 89 1.591 -12.202 -2.785 1.00 0.49 C ATOM 1412 C LYS A 89 0.491 -12.540 -1.805 1.00 0.49 C ATOM 1413 O LYS A 89 -0.030 -13.656 -1.792 1.00 0.55 O ATOM 1414 CB LYS A 89 2.957 -12.744 -2.318 1.00 0.56 C ATOM 1415 CG LYS A 89 3.611 -12.110 -1.077 1.00 0.70 C ATOM 1416 CD LYS A 89 4.091 -10.669 -1.284 1.00 1.55 C ATOM 1417 CE LYS A 89 4.604 -10.391 -2.704 1.00 2.44 C ATOM 1418 NZ LYS A 89 5.501 -11.461 -3.220 1.00 3.29 N ATOM 0 H LYS A 89 2.264 -10.231 -2.514 1.00 0.47 H new ATOM 0 HA LYS A 89 1.396 -12.706 -3.732 1.00 0.49 H new ATOM 0 HB2 LYS A 89 2.842 -13.811 -2.124 1.00 0.56 H new ATOM 0 HB3 LYS A 89 3.655 -12.644 -3.149 1.00 0.56 H new ATOM 0 HG2 LYS A 89 2.896 -12.128 -0.255 1.00 0.70 H new ATOM 0 HG3 LYS A 89 4.460 -12.723 -0.775 1.00 0.70 H new ATOM 0 HD2 LYS A 89 3.271 -9.986 -1.063 1.00 1.55 H new ATOM 0 HD3 LYS A 89 4.886 -10.454 -0.570 1.00 1.55 H new ATOM 0 HE2 LYS A 89 3.753 -10.283 -3.377 1.00 2.44 H new ATOM 0 HE3 LYS A 89 5.139 -9.441 -2.711 1.00 2.44 H new ATOM 0 HZ1 LYS A 89 6.439 -11.060 -3.422 1.00 3.29 H new ATOM 0 HZ2 LYS A 89 5.592 -12.212 -2.506 1.00 3.29 H new ATOM 0 HZ3 LYS A 89 5.099 -11.860 -4.093 1.00 3.29 H new ATOM 1432 N GLU A 90 0.136 -11.560 -0.990 1.00 0.47 N ATOM 1433 CA GLU A 90 -0.928 -11.722 -0.027 1.00 0.52 C ATOM 1434 C GLU A 90 -2.263 -11.940 -0.739 1.00 0.55 C ATOM 1435 O GLU A 90 -3.247 -12.346 -0.119 1.00 0.62 O ATOM 1436 CB GLU A 90 -0.978 -10.505 0.894 1.00 0.55 C ATOM 1437 CG GLU A 90 0.107 -10.535 1.950 1.00 0.62 C ATOM 1438 CD GLU A 90 0.048 -9.351 2.892 1.00 1.26 C ATOM 1439 OE1 GLU A 90 -0.843 -9.335 3.767 1.00 1.97 O ATOM 1440 OE2 GLU A 90 0.891 -8.440 2.755 1.00 1.95 O ATOM 0 H GLU A 90 0.576 -10.640 -0.981 1.00 0.47 H new ATOM 0 HA GLU A 90 -0.733 -12.604 0.582 1.00 0.52 H new ATOM 0 HB2 GLU A 90 -0.877 -9.598 0.298 1.00 0.55 H new ATOM 0 HB3 GLU A 90 -1.953 -10.460 1.380 1.00 0.55 H new ATOM 0 HG2 GLU A 90 0.020 -11.456 2.527 1.00 0.62 H new ATOM 0 HG3 GLU A 90 1.081 -10.556 1.462 1.00 0.62 H new ATOM 1447 N LYS A 91 -2.294 -11.671 -2.050 1.00 0.54 N ATOM 1448 CA LYS A 91 -3.504 -11.863 -2.835 1.00 0.61 C ATOM 1449 C LYS A 91 -3.910 -13.332 -2.821 1.00 0.63 C ATOM 1450 O LYS A 91 -5.075 -13.671 -2.610 1.00 0.70 O ATOM 1451 CB LYS A 91 -3.301 -11.372 -4.274 1.00 0.62 C ATOM 1452 CG LYS A 91 -2.526 -12.329 -5.165 1.00 0.61 C ATOM 1453 CD LYS A 91 -2.375 -11.770 -6.571 1.00 0.67 C ATOM 1454 CE LYS A 91 -1.686 -12.760 -7.496 1.00 0.70 C ATOM 1455 NZ LYS A 91 -1.544 -12.223 -8.878 1.00 1.38 N ATOM 0 H LYS A 91 -1.496 -11.322 -2.581 1.00 0.54 H new ATOM 0 HA LYS A 91 -4.305 -11.275 -2.388 1.00 0.61 H new ATOM 0 HB2 LYS A 91 -4.277 -11.188 -4.723 1.00 0.62 H new ATOM 0 HB3 LYS A 91 -2.778 -10.416 -4.248 1.00 0.62 H new ATOM 0 HG2 LYS A 91 -1.541 -12.513 -4.736 1.00 0.61 H new ATOM 0 HG3 LYS A 91 -3.040 -13.289 -5.206 1.00 0.61 H new ATOM 0 HD2 LYS A 91 -3.358 -11.520 -6.971 1.00 0.67 H new ATOM 0 HD3 LYS A 91 -1.801 -10.844 -6.535 1.00 0.67 H new ATOM 0 HE2 LYS A 91 -0.701 -13.003 -7.098 1.00 0.70 H new ATOM 0 HE3 LYS A 91 -2.257 -13.688 -7.524 1.00 0.70 H new ATOM 0 HZ1 LYS A 91 -1.070 -12.928 -9.477 1.00 1.38 H new ATOM 0 HZ2 LYS A 91 -2.485 -12.014 -9.268 1.00 1.38 H new ATOM 0 HZ3 LYS A 91 -0.978 -11.351 -8.855 1.00 1.38 H new ATOM 1469 N ALA A 92 -2.930 -14.194 -3.051 1.00 0.61 N ATOM 1470 CA ALA A 92 -3.156 -15.639 -3.070 1.00 0.66 C ATOM 1471 C ALA A 92 -3.184 -16.240 -1.666 1.00 0.64 C ATOM 1472 O ALA A 92 -3.736 -17.317 -1.464 1.00 0.70 O ATOM 1473 CB ALA A 92 -2.101 -16.328 -3.923 1.00 0.75 C ATOM 0 H ALA A 92 -1.964 -13.919 -3.228 1.00 0.61 H new ATOM 0 HA ALA A 92 -4.139 -15.807 -3.510 1.00 0.66 H new ATOM 0 HB1 ALA A 92 -2.282 -17.403 -3.928 1.00 0.75 H new ATOM 0 HB2 ALA A 92 -2.152 -15.947 -4.943 1.00 0.75 H new ATOM 0 HB3 ALA A 92 -1.112 -16.128 -3.510 1.00 0.75 H new ATOM 1479 N LEU A 93 -2.557 -15.576 -0.705 1.00 0.62 N ATOM 1480 CA LEU A 93 -2.566 -16.079 0.668 1.00 0.66 C ATOM 1481 C LEU A 93 -3.846 -15.689 1.375 1.00 0.59 C ATOM 1482 O LEU A 93 -4.296 -16.386 2.284 1.00 0.64 O ATOM 1483 CB LEU A 93 -1.365 -15.586 1.467 1.00 0.75 C ATOM 1484 CG LEU A 93 -1.099 -16.417 2.721 1.00 0.82 C ATOM 1485 CD1 LEU A 93 0.208 -17.186 2.589 1.00 1.03 C ATOM 1486 CD2 LEU A 93 -1.077 -15.528 3.955 1.00 0.95 C ATOM 0 H LEU A 93 -2.044 -14.705 -0.842 1.00 0.62 H new ATOM 0 HA LEU A 93 -2.505 -17.166 0.607 1.00 0.66 H new ATOM 0 HB2 LEU A 93 -0.480 -15.605 0.831 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -1.529 -14.547 1.754 1.00 0.75 H new ATOM 0 HG LEU A 93 -1.908 -17.139 2.832 1.00 0.82 H new ATOM 0 HD11 LEU A 93 0.379 -17.771 3.493 1.00 1.03 H new ATOM 0 HD12 LEU A 93 0.152 -17.854 1.729 1.00 1.03 H new ATOM 0 HD13 LEU A 93 1.031 -16.484 2.450 1.00 1.03 H new ATOM 0 HD21 LEU A 93 -0.886 -16.137 4.839 1.00 0.95 H new ATOM 0 HD22 LEU A 93 -0.289 -14.782 3.852 1.00 0.95 H new ATOM 0 HD23 LEU A 93 -2.040 -15.028 4.060 1.00 0.95 H new ATOM 1498 N GLY A 94 -4.438 -14.578 0.961 1.00 0.53 N ATOM 1499 CA GLY A 94 -5.677 -14.143 1.574 1.00 0.52 C ATOM 1500 C GLY A 94 -6.674 -15.264 1.667 1.00 0.52 C ATOM 1501 O GLY A 94 -7.445 -15.345 2.623 1.00 0.57 O ATOM 0 H GLY A 94 -4.087 -13.974 0.218 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -5.473 -13.754 2.571 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -6.103 -13.324 0.994 1.00 0.52 H new ATOM 1505 N ILE A 95 -6.657 -16.143 0.668 1.00 0.54 N ATOM 1506 CA ILE A 95 -7.587 -17.256 0.631 1.00 0.57 C ATOM 1507 C ILE A 95 -7.233 -18.298 1.668 1.00 0.61 C ATOM 1508 O ILE A 95 -7.001 -19.462 1.346 1.00 0.67 O ATOM 1509 CB ILE A 95 -7.648 -17.915 -0.758 1.00 0.63 C ATOM 1510 CG1 ILE A 95 -6.251 -18.257 -1.259 1.00 1.32 C ATOM 1511 CG2 ILE A 95 -8.343 -16.999 -1.736 1.00 1.09 C ATOM 1512 CD1 ILE A 95 -6.229 -19.385 -2.267 1.00 1.68 C ATOM 0 H ILE A 95 -6.011 -16.102 -0.120 1.00 0.54 H new ATOM 0 HA ILE A 95 -8.570 -16.844 0.856 1.00 0.57 H new ATOM 0 HB ILE A 95 -8.216 -18.842 -0.673 1.00 0.63 H new ATOM 0 HG12 ILE A 95 -5.808 -17.369 -1.710 1.00 1.32 H new ATOM 0 HG13 ILE A 95 -5.625 -18.528 -0.409 1.00 1.32 H new ATOM 0 HG21 ILE A 95 -8.381 -17.475 -2.716 1.00 1.09 H new ATOM 0 HG22 ILE A 95 -9.357 -16.799 -1.390 1.00 1.09 H new ATOM 0 HG23 ILE A 95 -7.793 -16.061 -1.809 1.00 1.09 H new ATOM 0 HD11 ILE A 95 -5.202 -19.574 -2.579 1.00 1.68 H new ATOM 0 HD12 ILE A 95 -6.642 -20.286 -1.814 1.00 1.68 H new ATOM 0 HD13 ILE A 95 -6.827 -19.109 -3.135 1.00 1.68 H new ATOM 1524 N ARG A 96 -7.193 -17.872 2.920 1.00 0.64 N ATOM 1525 CA ARG A 96 -6.895 -18.770 4.003 1.00 0.74 C ATOM 1526 C ARG A 96 -7.983 -19.833 4.063 1.00 0.82 C ATOM 1527 O ARG A 96 -7.775 -20.925 4.591 1.00 0.93 O ATOM 1528 CB ARG A 96 -6.793 -17.990 5.305 1.00 0.84 C ATOM 1529 CG ARG A 96 -5.462 -17.282 5.493 1.00 1.65 C ATOM 1530 CD ARG A 96 -5.633 -15.774 5.406 1.00 2.45 C ATOM 1531 NE ARG A 96 -4.398 -15.056 5.703 1.00 2.91 N ATOM 1532 CZ ARG A 96 -4.311 -13.730 5.740 1.00 3.85 C ATOM 1533 NH1 ARG A 96 -5.382 -12.986 5.497 1.00 4.47 N ATOM 1534 NH2 ARG A 96 -3.154 -13.147 6.021 1.00 4.48 N ATOM 0 H ARG A 96 -7.365 -16.907 3.203 1.00 0.64 H new ATOM 0 HA ARG A 96 -5.936 -19.262 3.843 1.00 0.74 H new ATOM 0 HB2 ARG A 96 -7.594 -17.252 5.339 1.00 0.84 H new ATOM 0 HB3 ARG A 96 -6.952 -18.672 6.140 1.00 0.84 H new ATOM 0 HG2 ARG A 96 -5.037 -17.549 6.461 1.00 1.65 H new ATOM 0 HG3 ARG A 96 -4.757 -17.617 4.732 1.00 1.65 H new ATOM 0 HD2 ARG A 96 -5.974 -15.507 4.406 1.00 2.45 H new ATOM 0 HD3 ARG A 96 -6.410 -15.458 6.102 1.00 2.45 H new ATOM 0 HE ARG A 96 -3.557 -15.601 5.892 1.00 2.91 H new ATOM 0 HH11 ARG A 96 -6.274 -13.431 5.281 1.00 4.47 H new ATOM 0 HH12 ARG A 96 -5.314 -11.969 5.526 1.00 4.47 H new ATOM 0 HH21 ARG A 96 -2.329 -13.716 6.209 1.00 4.48 H new ATOM 0 HH22 ARG A 96 -3.089 -12.129 6.049 1.00 4.48 H new ATOM 1548 N LYS A 97 -9.162 -19.498 3.516 1.00 0.83 N ATOM 1549 CA LYS A 97 -10.256 -20.451 3.456 1.00 0.95 C ATOM 1550 C LYS A 97 -10.098 -21.266 2.180 1.00 0.94 C ATOM 1551 O LYS A 97 -10.725 -20.978 1.160 1.00 0.98 O ATOM 1552 CB LYS A 97 -11.645 -19.774 3.481 1.00 1.06 C ATOM 1553 CG LYS A 97 -11.652 -18.247 3.366 1.00 0.99 C ATOM 1554 CD LYS A 97 -11.070 -17.586 4.604 1.00 1.56 C ATOM 1555 CE LYS A 97 -10.500 -16.217 4.279 1.00 1.85 C ATOM 1556 NZ LYS A 97 -10.207 -15.430 5.507 1.00 2.92 N ATOM 0 H LYS A 97 -9.371 -18.583 3.116 1.00 0.83 H new ATOM 0 HA LYS A 97 -10.209 -21.085 4.341 1.00 0.95 H new ATOM 0 HB2 LYS A 97 -12.240 -20.182 2.664 1.00 1.06 H new ATOM 0 HB3 LYS A 97 -12.145 -20.051 4.409 1.00 1.06 H new ATOM 0 HG2 LYS A 97 -11.079 -17.946 2.489 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -12.674 -17.898 3.214 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -11.844 -17.489 5.366 1.00 1.56 H new ATOM 0 HD3 LYS A 97 -10.287 -18.218 5.023 1.00 1.56 H new ATOM 0 HE2 LYS A 97 -9.586 -16.334 3.696 1.00 1.85 H new ATOM 0 HE3 LYS A 97 -11.207 -15.668 3.657 1.00 1.85 H new ATOM 0 HZ1 LYS A 97 -9.820 -14.502 5.241 1.00 2.92 H new ATOM 0 HZ2 LYS A 97 -11.083 -15.296 6.051 1.00 2.92 H new ATOM 0 HZ3 LYS A 97 -9.513 -15.941 6.089 1.00 2.92 H new ATOM 1570 N LYS A 98 -9.247 -22.282 2.249 1.00 0.97 N ATOM 1571 CA LYS A 98 -8.976 -23.135 1.101 1.00 1.06 C ATOM 1572 C LYS A 98 -9.686 -24.478 1.240 1.00 1.22 C ATOM 1573 O LYS A 98 -10.838 -24.589 0.769 1.00 1.61 O ATOM 1574 CB LYS A 98 -7.466 -23.351 0.952 1.00 1.08 C ATOM 1575 CG LYS A 98 -6.656 -22.061 0.832 1.00 1.07 C ATOM 1576 CD LYS A 98 -5.244 -22.341 0.348 1.00 1.51 C ATOM 1577 CE LYS A 98 -4.403 -21.077 0.329 1.00 2.00 C ATOM 1578 NZ LYS A 98 -3.016 -21.339 -0.142 1.00 2.74 N ATOM 1579 OXT LYS A 98 -9.085 -25.408 1.817 1.00 1.70 O ATOM 0 H LYS A 98 -8.731 -22.535 3.092 1.00 0.97 H new ATOM 0 HA LYS A 98 -9.357 -22.638 0.208 1.00 1.06 H new ATOM 0 HB2 LYS A 98 -7.105 -23.915 1.812 1.00 1.08 H new ATOM 0 HB3 LYS A 98 -7.284 -23.964 0.070 1.00 1.08 H new ATOM 0 HG2 LYS A 98 -7.152 -21.380 0.140 1.00 1.07 H new ATOM 0 HG3 LYS A 98 -6.619 -21.561 1.800 1.00 1.07 H new ATOM 0 HD2 LYS A 98 -4.776 -23.081 0.997 1.00 1.51 H new ATOM 0 HD3 LYS A 98 -5.280 -22.771 -0.653 1.00 1.51 H new ATOM 0 HE2 LYS A 98 -4.873 -20.338 -0.320 1.00 2.00 H new ATOM 0 HE3 LYS A 98 -4.371 -20.647 1.330 1.00 2.00 H new ATOM 0 HZ1 LYS A 98 -2.475 -20.451 -0.140 1.00 2.74 H new ATOM 0 HZ2 LYS A 98 -2.558 -22.025 0.492 1.00 2.74 H new ATOM 0 HZ3 LYS A 98 -3.044 -21.725 -1.107 1.00 2.74 H new TER 1593 LYS A 98 ATOM 1594 N MET B 1 18.592 -4.510 -2.632 1.00 0.65 N ATOM 1595 CA MET B 1 17.827 -5.751 -2.925 1.00 0.59 C ATOM 1596 C MET B 1 16.478 -5.433 -3.539 1.00 0.59 C ATOM 1597 O MET B 1 16.147 -4.274 -3.781 1.00 0.60 O ATOM 1598 CB MET B 1 17.582 -6.580 -1.651 1.00 0.58 C ATOM 1599 CG MET B 1 18.725 -7.498 -1.184 1.00 0.60 C ATOM 1600 SD MET B 1 19.923 -7.942 -2.475 1.00 0.94 S ATOM 1601 CE MET B 1 21.329 -8.505 -1.522 1.00 1.18 C ATOM 0 H1 MET B 1 19.564 -4.758 -2.357 1.00 0.65 H new ATOM 0 H2 MET B 1 18.615 -3.908 -3.480 1.00 0.65 H new ATOM 0 H3 MET B 1 18.133 -3.995 -1.854 1.00 0.65 H new ATOM 0 HA MET B 1 18.433 -6.324 -3.627 1.00 0.59 H new ATOM 0 HB2 MET B 1 17.347 -5.892 -0.839 1.00 0.58 H new ATOM 0 HB3 MET B 1 16.697 -7.196 -1.813 1.00 0.58 H new ATOM 0 HG2 MET B 1 19.256 -7.007 -0.369 1.00 0.60 H new ATOM 0 HG3 MET B 1 18.294 -8.413 -0.778 1.00 0.60 H new ATOM 0 HE1 MET B 1 22.250 -8.222 -2.031 1.00 1.18 H new ATOM 0 HE2 MET B 1 21.305 -8.047 -0.533 1.00 1.18 H new ATOM 0 HE3 MET B 1 21.289 -9.590 -1.420 1.00 1.18 H new ATOM 1613 N ALA B 2 15.717 -6.487 -3.817 1.00 0.61 N ATOM 1614 CA ALA B 2 14.386 -6.335 -4.384 1.00 0.64 C ATOM 1615 C ALA B 2 13.307 -6.759 -3.407 1.00 0.62 C ATOM 1616 O ALA B 2 13.560 -7.482 -2.445 1.00 0.71 O ATOM 1617 CB ALA B 2 14.232 -7.124 -5.671 1.00 0.72 C ATOM 0 H ALA B 2 16.001 -7.454 -3.658 1.00 0.61 H new ATOM 0 HA ALA B 2 14.267 -5.274 -4.602 1.00 0.64 H new ATOM 0 HB1 ALA B 2 13.225 -6.986 -6.064 1.00 0.72 H new ATOM 0 HB2 ALA B 2 14.959 -6.772 -6.403 1.00 0.72 H new ATOM 0 HB3 ALA B 2 14.401 -8.182 -5.472 1.00 0.72 H new ATOM 1623 N ALA B 3 12.100 -6.292 -3.665 1.00 0.73 N ATOM 1624 CA ALA B 3 10.956 -6.643 -2.852 1.00 0.75 C ATOM 1625 C ALA B 3 10.340 -7.920 -3.387 1.00 0.65 C ATOM 1626 O ALA B 3 9.325 -7.890 -4.083 1.00 0.81 O ATOM 1627 CB ALA B 3 9.942 -5.531 -2.872 1.00 1.04 C ATOM 0 H ALA B 3 11.888 -5.663 -4.439 1.00 0.73 H new ATOM 0 HA ALA B 3 11.277 -6.797 -1.822 1.00 0.75 H new ATOM 0 HB1 ALA B 3 9.086 -5.808 -2.256 1.00 1.04 H new ATOM 0 HB2 ALA B 3 10.393 -4.620 -2.478 1.00 1.04 H new ATOM 0 HB3 ALA B 3 9.611 -5.358 -3.896 1.00 1.04 H new ATOM 1633 N GLU B 4 10.963 -9.040 -3.066 1.00 0.62 N ATOM 1634 CA GLU B 4 10.461 -10.327 -3.533 1.00 0.75 C ATOM 1635 C GLU B 4 9.110 -10.593 -2.893 1.00 0.74 C ATOM 1636 O GLU B 4 8.073 -10.263 -3.469 1.00 0.86 O ATOM 1637 CB GLU B 4 11.433 -11.489 -3.239 1.00 0.97 C ATOM 1638 CG GLU B 4 12.596 -11.158 -2.308 1.00 1.45 C ATOM 1639 CD GLU B 4 12.146 -10.716 -0.933 1.00 2.42 C ATOM 1640 OE1 GLU B 4 11.733 -11.582 -0.136 1.00 3.02 O ATOM 1641 OE2 GLU B 4 12.190 -9.498 -0.662 1.00 3.20 O ATOM 0 H GLU B 4 11.805 -9.089 -2.493 1.00 0.62 H new ATOM 0 HA GLU B 4 10.363 -10.274 -4.617 1.00 0.75 H new ATOM 0 HB2 GLU B 4 10.866 -12.312 -2.804 1.00 0.97 H new ATOM 0 HB3 GLU B 4 11.839 -11.847 -4.185 1.00 0.97 H new ATOM 0 HG2 GLU B 4 13.236 -12.035 -2.210 1.00 1.45 H new ATOM 0 HG3 GLU B 4 13.201 -10.370 -2.757 1.00 1.45 H new ATOM 1648 N THR B 5 9.107 -11.187 -1.710 1.00 0.70 N ATOM 1649 CA THR B 5 7.864 -11.447 -1.022 1.00 0.75 C ATOM 1650 C THR B 5 7.269 -10.148 -0.450 1.00 0.62 C ATOM 1651 O THR B 5 7.333 -9.102 -1.097 1.00 0.79 O ATOM 1652 CB THR B 5 8.051 -12.493 0.077 1.00 0.92 C ATOM 1653 OG1 THR B 5 9.091 -13.404 -0.293 1.00 1.42 O ATOM 1654 CG2 THR B 5 6.735 -13.234 0.290 1.00 1.08 C ATOM 0 H THR B 5 9.945 -11.493 -1.215 1.00 0.70 H new ATOM 0 HA THR B 5 7.158 -11.849 -1.749 1.00 0.75 H new ATOM 0 HB THR B 5 8.338 -12.006 1.009 1.00 0.92 H new ATOM 0 HG1 THR B 5 9.873 -13.257 0.279 1.00 1.42 H new ATOM 0 HG21 THR B 5 6.861 -13.982 1.073 1.00 1.08 H new ATOM 0 HG22 THR B 5 5.962 -12.525 0.587 1.00 1.08 H new ATOM 0 HG23 THR B 5 6.440 -13.725 -0.637 1.00 1.08 H new ATOM 1662 N LEU B 6 6.692 -10.207 0.754 1.00 0.54 N ATOM 1663 CA LEU B 6 6.080 -9.045 1.369 1.00 0.50 C ATOM 1664 C LEU B 6 7.118 -8.223 2.101 1.00 0.49 C ATOM 1665 O LEU B 6 7.713 -8.691 3.069 1.00 0.56 O ATOM 1666 CB LEU B 6 4.992 -9.461 2.369 1.00 0.60 C ATOM 1667 CG LEU B 6 4.461 -10.881 2.226 1.00 0.75 C ATOM 1668 CD1 LEU B 6 5.328 -11.868 2.997 1.00 1.15 C ATOM 1669 CD2 LEU B 6 3.030 -10.958 2.720 1.00 1.07 C ATOM 0 H LEU B 6 6.640 -11.056 1.318 1.00 0.54 H new ATOM 0 HA LEU B 6 5.632 -8.452 0.572 1.00 0.50 H new ATOM 0 HB2 LEU B 6 5.389 -9.343 3.377 1.00 0.60 H new ATOM 0 HB3 LEU B 6 4.155 -8.770 2.273 1.00 0.60 H new ATOM 0 HG LEU B 6 4.491 -11.148 1.170 1.00 0.75 H new ATOM 0 HD11 LEU B 6 4.927 -12.875 2.878 1.00 1.15 H new ATOM 0 HD12 LEU B 6 6.347 -11.836 2.611 1.00 1.15 H new ATOM 0 HD13 LEU B 6 5.331 -11.601 4.054 1.00 1.15 H new ATOM 0 HD21 LEU B 6 2.662 -11.978 2.612 1.00 1.07 H new ATOM 0 HD22 LEU B 6 2.991 -10.667 3.770 1.00 1.07 H new ATOM 0 HD23 LEU B 6 2.406 -10.284 2.134 1.00 1.07 H new ATOM 1681 N THR B 7 7.331 -6.999 1.664 1.00 0.50 N ATOM 1682 CA THR B 7 8.285 -6.150 2.347 1.00 0.53 C ATOM 1683 C THR B 7 7.724 -5.848 3.718 1.00 0.48 C ATOM 1684 O THR B 7 6.553 -6.114 3.962 1.00 0.55 O ATOM 1685 CB THR B 7 8.541 -4.823 1.597 1.00 0.60 C ATOM 1686 OG1 THR B 7 7.378 -4.455 0.846 1.00 0.83 O ATOM 1687 CG2 THR B 7 9.750 -4.914 0.666 1.00 0.80 C ATOM 0 H THR B 7 6.869 -6.577 0.858 1.00 0.50 H new ATOM 0 HA THR B 7 9.240 -6.672 2.402 1.00 0.53 H new ATOM 0 HB THR B 7 8.756 -4.060 2.345 1.00 0.60 H new ATOM 0 HG1 THR B 7 6.576 -4.619 1.384 1.00 0.83 H new ATOM 0 HG21 THR B 7 9.892 -3.959 0.160 1.00 0.80 H new ATOM 0 HG22 THR B 7 10.640 -5.152 1.248 1.00 0.80 H new ATOM 0 HG23 THR B 7 9.581 -5.696 -0.075 1.00 0.80 H new ATOM 1695 N GLU B 8 8.536 -5.292 4.617 1.00 0.46 N ATOM 1696 CA GLU B 8 8.062 -4.974 5.971 1.00 0.45 C ATOM 1697 C GLU B 8 6.664 -4.358 5.925 1.00 0.41 C ATOM 1698 O GLU B 8 5.881 -4.469 6.869 1.00 0.42 O ATOM 1699 CB GLU B 8 9.031 -4.024 6.671 1.00 0.50 C ATOM 1700 CG GLU B 8 10.471 -4.501 6.629 1.00 0.52 C ATOM 1701 CD GLU B 8 11.384 -3.690 7.527 1.00 1.09 C ATOM 1702 OE1 GLU B 8 11.092 -3.592 8.737 1.00 1.67 O ATOM 1703 OE2 GLU B 8 12.391 -3.153 7.020 1.00 1.94 O ATOM 0 H GLU B 8 9.512 -5.054 4.440 1.00 0.46 H new ATOM 0 HA GLU B 8 8.013 -5.904 6.538 1.00 0.45 H new ATOM 0 HB2 GLU B 8 8.967 -3.041 6.204 1.00 0.50 H new ATOM 0 HB3 GLU B 8 8.725 -3.904 7.710 1.00 0.50 H new ATOM 0 HG2 GLU B 8 10.511 -5.548 6.928 1.00 0.52 H new ATOM 0 HG3 GLU B 8 10.837 -4.448 5.604 1.00 0.52 H new ATOM 1710 N LEU B 9 6.377 -3.707 4.807 1.00 0.41 N ATOM 1711 CA LEU B 9 5.084 -3.090 4.566 1.00 0.40 C ATOM 1712 C LEU B 9 3.950 -4.055 4.881 1.00 0.38 C ATOM 1713 O LEU B 9 2.840 -3.638 5.210 1.00 0.40 O ATOM 1714 CB LEU B 9 5.013 -2.659 3.099 1.00 0.46 C ATOM 1715 CG LEU B 9 6.293 -2.010 2.551 1.00 0.58 C ATOM 1716 CD1 LEU B 9 6.001 -1.189 1.311 1.00 0.93 C ATOM 1717 CD2 LEU B 9 6.983 -1.164 3.616 1.00 0.93 C ATOM 0 H LEU B 9 7.039 -3.592 4.039 1.00 0.41 H new ATOM 0 HA LEU B 9 4.974 -2.224 5.219 1.00 0.40 H new ATOM 0 HB2 LEU B 9 4.777 -3.532 2.490 1.00 0.46 H new ATOM 0 HB3 LEU B 9 4.188 -1.956 2.982 1.00 0.46 H new ATOM 0 HG LEU B 9 6.975 -2.812 2.269 1.00 0.58 H new ATOM 0 HD11 LEU B 9 6.925 -0.741 0.945 1.00 0.93 H new ATOM 0 HD12 LEU B 9 5.579 -1.833 0.539 1.00 0.93 H new ATOM 0 HD13 LEU B 9 5.288 -0.401 1.556 1.00 0.93 H new ATOM 0 HD21 LEU B 9 7.885 -0.718 3.198 1.00 0.93 H new ATOM 0 HD22 LEU B 9 6.308 -0.375 3.947 1.00 0.93 H new ATOM 0 HD23 LEU B 9 7.249 -1.794 4.465 1.00 0.93 H new ATOM 1729 N GLU B 10 4.234 -5.353 4.796 1.00 0.38 N ATOM 1730 CA GLU B 10 3.230 -6.364 5.099 1.00 0.39 C ATOM 1731 C GLU B 10 2.668 -6.108 6.487 1.00 0.38 C ATOM 1732 O GLU B 10 1.475 -6.276 6.730 1.00 0.40 O ATOM 1733 CB GLU B 10 3.827 -7.768 5.017 1.00 0.45 C ATOM 1734 CG GLU B 10 5.257 -7.843 5.511 1.00 0.45 C ATOM 1735 CD GLU B 10 5.461 -8.919 6.562 1.00 0.55 C ATOM 1736 OE1 GLU B 10 5.659 -10.092 6.182 1.00 1.16 O ATOM 1737 OE2 GLU B 10 5.421 -8.588 7.765 1.00 1.26 O ATOM 0 H GLU B 10 5.144 -5.725 4.522 1.00 0.38 H new ATOM 0 HA GLU B 10 2.428 -6.300 4.363 1.00 0.39 H new ATOM 0 HB2 GLU B 10 3.212 -8.451 5.603 1.00 0.45 H new ATOM 0 HB3 GLU B 10 3.789 -8.111 3.983 1.00 0.45 H new ATOM 0 HG2 GLU B 10 5.919 -8.036 4.667 1.00 0.45 H new ATOM 0 HG3 GLU B 10 5.544 -6.877 5.926 1.00 0.45 H new ATOM 1744 N ALA B 11 3.545 -5.695 7.396 1.00 0.39 N ATOM 1745 CA ALA B 11 3.136 -5.372 8.751 1.00 0.39 C ATOM 1746 C ALA B 11 2.094 -4.271 8.701 1.00 0.36 C ATOM 1747 O ALA B 11 1.166 -4.232 9.510 1.00 0.39 O ATOM 1748 CB ALA B 11 4.338 -4.944 9.581 1.00 0.42 C ATOM 0 H ALA B 11 4.542 -5.577 7.216 1.00 0.39 H new ATOM 0 HA ALA B 11 2.704 -6.254 9.224 1.00 0.39 H new ATOM 0 HB1 ALA B 11 4.014 -4.705 10.594 1.00 0.42 H new ATOM 0 HB2 ALA B 11 5.065 -5.756 9.614 1.00 0.42 H new ATOM 0 HB3 ALA B 11 4.797 -4.064 9.130 1.00 0.42 H new ATOM 1754 N ALA B 12 2.260 -3.375 7.733 1.00 0.33 N ATOM 1755 CA ALA B 12 1.326 -2.283 7.536 1.00 0.32 C ATOM 1756 C ALA B 12 0.005 -2.823 7.010 1.00 0.33 C ATOM 1757 O ALA B 12 -1.046 -2.210 7.195 1.00 0.34 O ATOM 1758 CB ALA B 12 1.900 -1.250 6.577 1.00 0.34 C ATOM 0 H ALA B 12 3.037 -3.388 7.073 1.00 0.33 H new ATOM 0 HA ALA B 12 1.152 -1.793 8.494 1.00 0.32 H new ATOM 0 HB1 ALA B 12 1.183 -0.440 6.443 1.00 0.34 H new ATOM 0 HB2 ALA B 12 2.828 -0.850 6.986 1.00 0.34 H new ATOM 0 HB3 ALA B 12 2.101 -1.719 5.614 1.00 0.34 H new ATOM 1764 N ILE B 13 0.064 -3.985 6.351 1.00 0.36 N ATOM 1765 CA ILE B 13 -1.133 -4.614 5.813 1.00 0.40 C ATOM 1766 C ILE B 13 -2.197 -4.714 6.907 1.00 0.39 C ATOM 1767 O ILE B 13 -3.394 -4.651 6.638 1.00 0.42 O ATOM 1768 CB ILE B 13 -0.820 -6.020 5.204 1.00 0.47 C ATOM 1769 CG1 ILE B 13 -1.696 -6.267 3.971 1.00 0.90 C ATOM 1770 CG2 ILE B 13 -0.995 -7.154 6.217 1.00 0.99 C ATOM 1771 CD1 ILE B 13 -3.137 -6.583 4.304 1.00 2.05 C ATOM 0 H ILE B 13 0.927 -4.502 6.181 1.00 0.36 H new ATOM 0 HA ILE B 13 -1.514 -3.993 5.002 1.00 0.40 H new ATOM 0 HB ILE B 13 0.230 -6.016 4.912 1.00 0.47 H new ATOM 0 HG12 ILE B 13 -1.665 -5.385 3.331 1.00 0.90 H new ATOM 0 HG13 ILE B 13 -1.275 -7.092 3.397 1.00 0.90 H new ATOM 0 HG21 ILE B 13 -0.765 -8.107 5.740 1.00 0.99 H new ATOM 0 HG22 ILE B 13 -0.321 -6.997 7.059 1.00 0.99 H new ATOM 0 HG23 ILE B 13 -2.025 -7.167 6.575 1.00 0.99 H new ATOM 0 HD11 ILE B 13 -3.696 -6.746 3.383 1.00 2.05 H new ATOM 0 HD12 ILE B 13 -3.180 -7.483 4.918 1.00 2.05 H new ATOM 0 HD13 ILE B 13 -3.575 -5.749 4.852 1.00 2.05 H new ATOM 1783 N GLU B 14 -1.724 -4.857 8.145 1.00 0.39 N ATOM 1784 CA GLU B 14 -2.597 -4.972 9.304 1.00 0.42 C ATOM 1785 C GLU B 14 -3.369 -3.682 9.558 1.00 0.38 C ATOM 1786 O GLU B 14 -4.554 -3.722 9.895 1.00 0.46 O ATOM 1787 CB GLU B 14 -1.783 -5.344 10.545 1.00 0.46 C ATOM 1788 CG GLU B 14 -1.118 -6.709 10.451 1.00 0.79 C ATOM 1789 CD GLU B 14 -0.388 -7.091 11.723 1.00 1.46 C ATOM 1790 OE1 GLU B 14 0.806 -6.746 11.847 1.00 2.02 O ATOM 1791 OE2 GLU B 14 -1.009 -7.734 12.595 1.00 2.25 O ATOM 0 H GLU B 14 -0.729 -4.896 8.368 1.00 0.39 H new ATOM 0 HA GLU B 14 -3.320 -5.760 9.094 1.00 0.42 H new ATOM 0 HB2 GLU B 14 -1.016 -4.586 10.707 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -2.437 -5.327 11.417 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -1.874 -7.463 10.230 1.00 0.79 H new ATOM 0 HG3 GLU B 14 -0.414 -6.710 9.619 1.00 0.79 H new ATOM 1798 N THR B 15 -2.709 -2.534 9.406 1.00 0.30 N ATOM 1799 CA THR B 15 -3.368 -1.270 9.625 1.00 0.28 C ATOM 1800 C THR B 15 -4.416 -1.034 8.550 1.00 0.28 C ATOM 1801 O THR B 15 -5.597 -0.848 8.834 1.00 0.34 O ATOM 1802 CB THR B 15 -2.367 -0.102 9.619 1.00 0.28 C ATOM 1803 OG1 THR B 15 -1.372 -0.294 10.633 1.00 0.29 O ATOM 1804 CG2 THR B 15 -3.082 1.222 9.849 1.00 0.32 C ATOM 0 H THR B 15 -1.728 -2.465 9.134 1.00 0.30 H new ATOM 0 HA THR B 15 -3.843 -1.313 10.605 1.00 0.28 H new ATOM 0 HB THR B 15 -1.884 -0.075 8.642 1.00 0.28 H new ATOM 0 HG1 THR B 15 -0.506 0.028 10.306 1.00 0.29 H new ATOM 0 HG21 THR B 15 -2.355 2.034 9.841 1.00 0.32 H new ATOM 0 HG22 THR B 15 -3.814 1.382 9.058 1.00 0.32 H new ATOM 0 HG23 THR B 15 -3.589 1.199 10.813 1.00 0.32 H new ATOM 1812 N VAL B 16 -3.954 -1.063 7.312 1.00 0.27 N ATOM 1813 CA VAL B 16 -4.802 -0.864 6.143 1.00 0.28 C ATOM 1814 C VAL B 16 -5.926 -1.887 6.085 1.00 0.30 C ATOM 1815 O VAL B 16 -7.038 -1.569 5.658 1.00 0.36 O ATOM 1816 CB VAL B 16 -3.946 -0.965 4.869 1.00 0.30 C ATOM 1817 CG1 VAL B 16 -3.248 -2.309 4.819 1.00 0.33 C ATOM 1818 CG2 VAL B 16 -4.783 -0.763 3.621 1.00 0.33 C ATOM 0 H VAL B 16 -2.973 -1.226 7.085 1.00 0.27 H new ATOM 0 HA VAL B 16 -5.253 0.125 6.216 1.00 0.28 H new ATOM 0 HB VAL B 16 -3.199 -0.172 4.901 1.00 0.30 H new ATOM 0 HG11 VAL B 16 -2.644 -2.372 3.914 1.00 0.33 H new ATOM 0 HG12 VAL B 16 -2.605 -2.418 5.692 1.00 0.33 H new ATOM 0 HG13 VAL B 16 -3.992 -3.105 4.815 1.00 0.33 H new ATOM 0 HG21 VAL B 16 -4.147 -0.841 2.740 1.00 0.33 H new ATOM 0 HG22 VAL B 16 -5.560 -1.526 3.576 1.00 0.33 H new ATOM 0 HG23 VAL B 16 -5.245 0.224 3.649 1.00 0.33 H new ATOM 1828 N VAL B 17 -5.647 -3.109 6.511 1.00 0.31 N ATOM 1829 CA VAL B 17 -6.661 -4.150 6.494 1.00 0.33 C ATOM 1830 C VAL B 17 -7.603 -4.002 7.680 1.00 0.30 C ATOM 1831 O VAL B 17 -8.818 -4.141 7.545 1.00 0.33 O ATOM 1832 CB VAL B 17 -6.044 -5.565 6.494 1.00 0.43 C ATOM 1833 CG1 VAL B 17 -5.421 -5.895 7.843 1.00 0.45 C ATOM 1834 CG2 VAL B 17 -7.093 -6.600 6.117 1.00 0.50 C ATOM 0 H VAL B 17 -4.738 -3.402 6.869 1.00 0.31 H new ATOM 0 HA VAL B 17 -7.222 -4.029 5.567 1.00 0.33 H new ATOM 0 HB VAL B 17 -5.249 -5.588 5.748 1.00 0.43 H new ATOM 0 HG11 VAL B 17 -4.995 -6.898 7.811 1.00 0.45 H new ATOM 0 HG12 VAL B 17 -4.635 -5.174 8.067 1.00 0.45 H new ATOM 0 HG13 VAL B 17 -6.186 -5.850 8.618 1.00 0.45 H new ATOM 0 HG21 VAL B 17 -6.643 -7.593 6.121 1.00 0.50 H new ATOM 0 HG22 VAL B 17 -7.910 -6.569 6.838 1.00 0.50 H new ATOM 0 HG23 VAL B 17 -7.479 -6.381 5.121 1.00 0.50 H new ATOM 1844 N SER B 18 -7.030 -3.716 8.842 1.00 0.33 N ATOM 1845 CA SER B 18 -7.815 -3.545 10.053 1.00 0.40 C ATOM 1846 C SER B 18 -8.440 -2.150 10.122 1.00 0.44 C ATOM 1847 O SER B 18 -9.191 -1.851 11.047 1.00 0.59 O ATOM 1848 CB SER B 18 -6.950 -3.794 11.290 1.00 0.51 C ATOM 1849 OG SER B 18 -7.702 -3.625 12.480 1.00 1.32 O ATOM 0 H SER B 18 -6.025 -3.598 8.969 1.00 0.33 H new ATOM 0 HA SER B 18 -8.623 -4.276 10.029 1.00 0.40 H new ATOM 0 HB2 SER B 18 -6.541 -4.804 11.255 1.00 0.51 H new ATOM 0 HB3 SER B 18 -6.104 -3.107 11.290 1.00 0.51 H new ATOM 0 HG SER B 18 -8.465 -3.035 12.304 1.00 1.32 H new ATOM 1855 N THR B 19 -8.070 -1.272 9.193 1.00 0.37 N ATOM 1856 CA THR B 19 -8.643 0.069 9.158 1.00 0.45 C ATOM 1857 C THR B 19 -9.950 0.146 8.360 1.00 0.46 C ATOM 1858 O THR B 19 -11.034 -0.079 8.898 1.00 0.53 O ATOM 1859 CB THR B 19 -7.644 1.129 8.634 1.00 0.45 C ATOM 1860 OG1 THR B 19 -6.921 0.651 7.484 1.00 0.42 O ATOM 1861 CG2 THR B 19 -6.664 1.528 9.725 1.00 0.49 C ATOM 0 H THR B 19 -7.384 -1.462 8.463 1.00 0.37 H new ATOM 0 HA THR B 19 -8.874 0.299 10.198 1.00 0.45 H new ATOM 0 HB THR B 19 -8.225 2.002 8.336 1.00 0.45 H new ATOM 0 HG1 THR B 19 -6.358 -0.108 7.744 1.00 0.42 H new ATOM 0 HG21 THR B 19 -5.971 2.274 9.336 1.00 0.49 H new ATOM 0 HG22 THR B 19 -7.211 1.947 10.570 1.00 0.49 H new ATOM 0 HG23 THR B 19 -6.107 0.650 10.052 1.00 0.49 H new ATOM 1869 N PHE B 20 -9.829 0.463 7.069 1.00 0.45 N ATOM 1870 CA PHE B 20 -10.977 0.621 6.183 1.00 0.53 C ATOM 1871 C PHE B 20 -11.507 -0.712 5.694 1.00 0.53 C ATOM 1872 O PHE B 20 -12.717 -0.937 5.642 1.00 0.68 O ATOM 1873 CB PHE B 20 -10.532 1.517 5.015 1.00 0.60 C ATOM 1874 CG PHE B 20 -11.175 1.255 3.679 1.00 0.72 C ATOM 1875 CD1 PHE B 20 -12.547 1.301 3.528 1.00 1.59 C ATOM 1876 CD2 PHE B 20 -10.390 0.971 2.572 1.00 1.26 C ATOM 1877 CE1 PHE B 20 -13.127 1.068 2.297 1.00 1.77 C ATOM 1878 CE2 PHE B 20 -10.963 0.738 1.341 1.00 1.37 C ATOM 1879 CZ PHE B 20 -12.333 0.787 1.203 1.00 1.18 C ATOM 0 H PHE B 20 -8.931 0.617 6.611 1.00 0.45 H new ATOM 0 HA PHE B 20 -11.804 1.082 6.723 1.00 0.53 H new ATOM 0 HB2 PHE B 20 -10.726 2.554 5.289 1.00 0.60 H new ATOM 0 HB3 PHE B 20 -9.453 1.414 4.899 1.00 0.60 H new ATOM 0 HD1 PHE B 20 -13.172 1.521 4.381 1.00 1.59 H new ATOM 0 HD2 PHE B 20 -9.316 0.932 2.676 1.00 1.26 H new ATOM 0 HE1 PHE B 20 -14.201 1.106 2.190 1.00 1.77 H new ATOM 0 HE2 PHE B 20 -10.340 0.518 0.487 1.00 1.37 H new ATOM 0 HZ PHE B 20 -12.786 0.606 0.239 1.00 1.18 H new ATOM 1889 N PHE B 21 -10.599 -1.583 5.337 1.00 0.44 N ATOM 1890 CA PHE B 21 -10.957 -2.877 4.826 1.00 0.47 C ATOM 1891 C PHE B 21 -11.832 -3.661 5.796 1.00 0.49 C ATOM 1892 O PHE B 21 -12.485 -4.627 5.409 1.00 0.63 O ATOM 1893 CB PHE B 21 -9.679 -3.643 4.476 1.00 0.47 C ATOM 1894 CG PHE B 21 -8.824 -2.989 3.428 1.00 0.45 C ATOM 1895 CD1 PHE B 21 -9.276 -1.896 2.706 1.00 1.39 C ATOM 1896 CD2 PHE B 21 -7.550 -3.464 3.179 1.00 1.15 C ATOM 1897 CE1 PHE B 21 -8.472 -1.297 1.761 1.00 1.44 C ATOM 1898 CE2 PHE B 21 -6.744 -2.869 2.239 1.00 1.13 C ATOM 1899 CZ PHE B 21 -7.202 -1.782 1.527 1.00 0.53 C ATOM 0 H PHE B 21 -9.595 -1.415 5.393 1.00 0.44 H new ATOM 0 HA PHE B 21 -11.558 -2.742 3.926 1.00 0.47 H new ATOM 0 HB2 PHE B 21 -9.087 -3.769 5.382 1.00 0.47 H new ATOM 0 HB3 PHE B 21 -9.952 -4.641 4.133 1.00 0.47 H new ATOM 0 HD1 PHE B 21 -10.268 -1.510 2.886 1.00 1.39 H new ATOM 0 HD2 PHE B 21 -7.183 -4.316 3.732 1.00 1.15 H new ATOM 0 HE1 PHE B 21 -8.836 -0.447 1.203 1.00 1.44 H new ATOM 0 HE2 PHE B 21 -5.751 -3.253 2.058 1.00 1.13 H new ATOM 0 HZ PHE B 21 -6.569 -1.312 0.789 1.00 0.53 H new ATOM 1909 N THR B 22 -11.851 -3.250 7.049 1.00 0.48 N ATOM 1910 CA THR B 22 -12.681 -3.913 8.042 1.00 0.54 C ATOM 1911 C THR B 22 -14.136 -3.947 7.601 1.00 0.48 C ATOM 1912 O THR B 22 -14.916 -4.789 8.046 1.00 0.53 O ATOM 1913 CB THR B 22 -12.606 -3.183 9.384 1.00 0.65 C ATOM 1914 OG1 THR B 22 -13.128 -1.851 9.258 1.00 0.66 O ATOM 1915 CG2 THR B 22 -11.179 -3.121 9.858 1.00 0.81 C ATOM 0 H THR B 22 -11.305 -2.465 7.405 1.00 0.48 H new ATOM 0 HA THR B 22 -12.305 -4.930 8.149 1.00 0.54 H new ATOM 0 HB THR B 22 -13.205 -3.732 10.111 1.00 0.65 H new ATOM 0 HG1 THR B 22 -12.389 -1.220 9.132 1.00 0.66 H new ATOM 0 HG21 THR B 22 -11.136 -2.599 10.814 1.00 0.81 H new ATOM 0 HG22 THR B 22 -10.791 -4.133 9.978 1.00 0.81 H new ATOM 0 HG23 THR B 22 -10.575 -2.586 9.125 1.00 0.81 H new ATOM 1923 N PHE B 23 -14.490 -3.024 6.718 1.00 0.49 N ATOM 1924 CA PHE B 23 -15.850 -2.915 6.225 1.00 0.51 C ATOM 1925 C PHE B 23 -16.276 -4.168 5.452 1.00 0.44 C ATOM 1926 O PHE B 23 -17.463 -4.407 5.243 1.00 0.46 O ATOM 1927 CB PHE B 23 -15.973 -1.593 5.442 1.00 0.68 C ATOM 1928 CG PHE B 23 -16.162 -1.656 3.955 1.00 0.61 C ATOM 1929 CD1 PHE B 23 -17.213 -2.339 3.364 1.00 1.48 C ATOM 1930 CD2 PHE B 23 -15.279 -0.974 3.146 1.00 1.46 C ATOM 1931 CE1 PHE B 23 -17.365 -2.342 1.997 1.00 1.88 C ATOM 1932 CE2 PHE B 23 -15.429 -0.969 1.782 1.00 1.93 C ATOM 1933 CZ PHE B 23 -16.473 -1.657 1.209 1.00 1.83 C ATOM 0 H PHE B 23 -13.846 -2.336 6.327 1.00 0.49 H new ATOM 0 HA PHE B 23 -16.561 -2.872 7.050 1.00 0.51 H new ATOM 0 HB2 PHE B 23 -16.813 -1.037 5.860 1.00 0.68 H new ATOM 0 HB3 PHE B 23 -15.075 -1.007 5.637 1.00 0.68 H new ATOM 0 HD1 PHE B 23 -17.919 -2.874 3.982 1.00 1.48 H new ATOM 0 HD2 PHE B 23 -14.456 -0.435 3.592 1.00 1.46 H new ATOM 0 HE1 PHE B 23 -18.184 -2.882 1.545 1.00 1.88 H new ATOM 0 HE2 PHE B 23 -14.731 -0.427 1.161 1.00 1.93 H new ATOM 0 HZ PHE B 23 -16.592 -1.659 0.136 1.00 1.83 H new ATOM 1943 N ALA B 24 -15.305 -5.012 5.102 1.00 0.51 N ATOM 1944 CA ALA B 24 -15.585 -6.270 4.395 1.00 0.59 C ATOM 1945 C ALA B 24 -16.806 -6.980 4.974 1.00 0.61 C ATOM 1946 O ALA B 24 -17.700 -7.416 4.249 1.00 0.67 O ATOM 1947 CB ALA B 24 -14.386 -7.195 4.499 1.00 0.71 C ATOM 0 H ALA B 24 -14.316 -4.851 5.295 1.00 0.51 H new ATOM 0 HA ALA B 24 -15.788 -6.025 3.353 1.00 0.59 H new ATOM 0 HB1 ALA B 24 -14.598 -8.126 3.974 1.00 0.71 H new ATOM 0 HB2 ALA B 24 -13.516 -6.715 4.050 1.00 0.71 H new ATOM 0 HB3 ALA B 24 -14.181 -7.409 5.548 1.00 0.71 H new ATOM 1953 N GLY B 25 -16.816 -7.090 6.294 1.00 0.71 N ATOM 1954 CA GLY B 25 -17.900 -7.744 7.006 1.00 0.85 C ATOM 1955 C GLY B 25 -19.283 -7.517 6.410 1.00 0.74 C ATOM 1956 O GLY B 25 -20.161 -8.363 6.576 1.00 0.82 O ATOM 0 H GLY B 25 -16.077 -6.730 6.898 1.00 0.71 H new ATOM 0 HA2 GLY B 25 -17.703 -8.816 7.034 1.00 0.85 H new ATOM 0 HA3 GLY B 25 -17.902 -7.393 8.038 1.00 0.85 H new ATOM 1960 N ARG B 26 -19.503 -6.395 5.724 1.00 0.61 N ATOM 1961 CA ARG B 26 -20.816 -6.148 5.127 1.00 0.59 C ATOM 1962 C ARG B 26 -21.199 -7.291 4.211 1.00 0.58 C ATOM 1963 O ARG B 26 -22.377 -7.605 4.039 1.00 0.72 O ATOM 1964 CB ARG B 26 -20.854 -4.831 4.364 1.00 0.61 C ATOM 1965 CG ARG B 26 -21.312 -3.684 5.241 1.00 1.18 C ATOM 1966 CD ARG B 26 -22.056 -2.622 4.451 1.00 0.96 C ATOM 1967 NE ARG B 26 -23.267 -3.154 3.832 1.00 1.55 N ATOM 1968 CZ ARG B 26 -24.309 -2.405 3.481 1.00 1.95 C ATOM 1969 NH1 ARG B 26 -24.284 -1.093 3.673 1.00 2.01 N ATOM 1970 NH2 ARG B 26 -25.377 -2.969 2.934 1.00 2.82 N ATOM 0 H ARG B 26 -18.811 -5.661 5.570 1.00 0.61 H new ATOM 0 HA ARG B 26 -21.538 -6.080 5.941 1.00 0.59 H new ATOM 0 HB2 ARG B 26 -19.862 -4.612 3.968 1.00 0.61 H new ATOM 0 HB3 ARG B 26 -21.525 -4.925 3.510 1.00 0.61 H new ATOM 0 HG2 ARG B 26 -21.959 -4.068 6.030 1.00 1.18 H new ATOM 0 HG3 ARG B 26 -20.447 -3.233 5.728 1.00 1.18 H new ATOM 0 HD2 ARG B 26 -22.319 -1.795 5.111 1.00 0.96 H new ATOM 0 HD3 ARG B 26 -21.401 -2.218 3.679 1.00 0.96 H new ATOM 0 HE ARG B 26 -23.317 -4.158 3.659 1.00 1.55 H new ATOM 0 HH11 ARG B 26 -23.464 -0.654 4.091 1.00 2.01 H new ATOM 0 HH12 ARG B 26 -25.085 -0.523 3.402 1.00 2.01 H new ATOM 0 HH21 ARG B 26 -25.400 -3.977 2.782 1.00 2.82 H new ATOM 0 HH22 ARG B 26 -26.176 -2.395 2.665 1.00 2.82 H new ATOM 1984 N GLU B 27 -20.190 -7.907 3.625 1.00 0.50 N ATOM 1985 CA GLU B 27 -20.413 -9.055 2.750 1.00 0.57 C ATOM 1986 C GLU B 27 -20.536 -10.338 3.576 1.00 0.80 C ATOM 1987 O GLU B 27 -19.639 -10.687 4.344 1.00 1.26 O ATOM 1988 CB GLU B 27 -19.266 -9.196 1.749 1.00 0.97 C ATOM 1989 CG GLU B 27 -19.078 -7.975 0.866 1.00 0.85 C ATOM 1990 CD GLU B 27 -20.332 -7.621 0.093 1.00 1.10 C ATOM 1991 OE1 GLU B 27 -20.542 -8.198 -0.995 1.00 1.63 O ATOM 1992 OE2 GLU B 27 -21.107 -6.768 0.576 1.00 1.79 O ATOM 0 H GLU B 27 -19.212 -7.638 3.734 1.00 0.50 H new ATOM 0 HA GLU B 27 -21.342 -8.892 2.204 1.00 0.57 H new ATOM 0 HB2 GLU B 27 -18.341 -9.387 2.293 1.00 0.97 H new ATOM 0 HB3 GLU B 27 -19.450 -10.066 1.118 1.00 0.97 H new ATOM 0 HG2 GLU B 27 -18.783 -7.126 1.483 1.00 0.85 H new ATOM 0 HG3 GLU B 27 -18.263 -8.159 0.166 1.00 0.85 H new ATOM 1999 N GLY B 28 -21.667 -11.028 3.403 1.00 1.32 N ATOM 2000 CA GLY B 28 -21.944 -12.259 4.135 1.00 1.87 C ATOM 2001 C GLY B 28 -20.725 -13.122 4.381 1.00 1.35 C ATOM 2002 O GLY B 28 -19.998 -12.916 5.354 1.00 1.58 O ATOM 0 H GLY B 28 -22.407 -10.750 2.758 1.00 1.32 H new ATOM 0 HA2 GLY B 28 -22.395 -12.005 5.094 1.00 1.87 H new ATOM 0 HA3 GLY B 28 -22.681 -12.840 3.581 1.00 1.87 H new ATOM 2006 N ARG B 29 -20.505 -14.099 3.504 1.00 1.15 N ATOM 2007 CA ARG B 29 -19.370 -15.010 3.635 1.00 1.06 C ATOM 2008 C ARG B 29 -18.098 -14.250 3.992 1.00 1.14 C ATOM 2009 O ARG B 29 -18.055 -13.022 3.920 1.00 1.74 O ATOM 2010 CB ARG B 29 -19.161 -15.790 2.328 1.00 1.38 C ATOM 2011 CG ARG B 29 -18.134 -16.919 2.420 1.00 1.76 C ATOM 2012 CD ARG B 29 -18.471 -17.884 3.546 1.00 2.36 C ATOM 2013 NE ARG B 29 -19.744 -18.566 3.320 1.00 2.88 N ATOM 2014 CZ ARG B 29 -20.457 -19.136 4.288 1.00 3.58 C ATOM 2015 NH1 ARG B 29 -20.021 -19.108 5.540 1.00 3.91 N ATOM 2016 NH2 ARG B 29 -21.605 -19.734 4.004 1.00 4.30 N ATOM 0 H ARG B 29 -21.098 -14.280 2.694 1.00 1.15 H new ATOM 0 HA ARG B 29 -19.591 -15.711 4.440 1.00 1.06 H new ATOM 0 HB2 ARG B 29 -20.116 -16.210 2.014 1.00 1.38 H new ATOM 0 HB3 ARG B 29 -18.848 -15.094 1.550 1.00 1.38 H new ATOM 0 HG2 ARG B 29 -18.099 -17.459 1.474 1.00 1.76 H new ATOM 0 HG3 ARG B 29 -17.142 -16.498 2.584 1.00 1.76 H new ATOM 0 HD2 ARG B 29 -17.675 -18.623 3.640 1.00 2.36 H new ATOM 0 HD3 ARG B 29 -18.514 -17.340 4.489 1.00 2.36 H new ATOM 0 HE ARG B 29 -20.106 -18.607 2.367 1.00 2.88 H new ATOM 0 HH11 ARG B 29 -19.138 -18.649 5.762 1.00 3.91 H new ATOM 0 HH12 ARG B 29 -20.569 -19.545 6.281 1.00 3.91 H new ATOM 0 HH21 ARG B 29 -21.943 -19.758 3.042 1.00 4.30 H new ATOM 0 HH22 ARG B 29 -22.150 -20.170 4.747 1.00 4.30 H new ATOM 2030 N LYS B 30 -17.066 -14.985 4.367 1.00 1.05 N ATOM 2031 CA LYS B 30 -15.794 -14.382 4.716 1.00 1.49 C ATOM 2032 C LYS B 30 -14.888 -14.428 3.497 1.00 1.34 C ATOM 2033 O LYS B 30 -13.769 -14.935 3.547 1.00 1.66 O ATOM 2034 CB LYS B 30 -15.149 -15.141 5.877 1.00 2.04 C ATOM 2035 CG LYS B 30 -14.609 -14.237 6.969 1.00 2.66 C ATOM 2036 CD LYS B 30 -15.724 -13.444 7.628 1.00 3.51 C ATOM 2037 CE LYS B 30 -15.187 -12.522 8.709 1.00 4.01 C ATOM 2038 NZ LYS B 30 -14.219 -11.532 8.162 1.00 4.78 N ATOM 0 H LYS B 30 -17.085 -16.002 4.437 1.00 1.05 H new ATOM 0 HA LYS B 30 -15.948 -13.349 5.027 1.00 1.49 H new ATOM 0 HB2 LYS B 30 -15.884 -15.820 6.309 1.00 2.04 H new ATOM 0 HB3 LYS B 30 -14.336 -15.756 5.491 1.00 2.04 H new ATOM 0 HG2 LYS B 30 -14.094 -14.837 7.719 1.00 2.66 H new ATOM 0 HG3 LYS B 30 -13.873 -13.553 6.547 1.00 2.66 H new ATOM 0 HD2 LYS B 30 -16.248 -12.856 6.875 1.00 3.51 H new ATOM 0 HD3 LYS B 30 -16.452 -14.129 8.062 1.00 3.51 H new ATOM 0 HE2 LYS B 30 -16.016 -11.996 9.183 1.00 4.01 H new ATOM 0 HE3 LYS B 30 -14.701 -13.115 9.484 1.00 4.01 H new ATOM 0 HZ1 LYS B 30 -14.319 -10.631 8.672 1.00 4.78 H new ATOM 0 HZ2 LYS B 30 -13.250 -11.892 8.280 1.00 4.78 H new ATOM 0 HZ3 LYS B 30 -14.411 -11.381 7.151 1.00 4.78 H new ATOM 2052 N GLY B 31 -15.410 -13.903 2.394 1.00 0.96 N ATOM 2053 CA GLY B 31 -14.666 -13.858 1.154 1.00 0.88 C ATOM 2054 C GLY B 31 -14.045 -12.522 0.964 1.00 0.81 C ATOM 2055 O GLY B 31 -12.870 -12.361 1.203 1.00 0.85 O ATOM 0 H GLY B 31 -16.347 -13.504 2.340 1.00 0.96 H new ATOM 0 HA2 GLY B 31 -13.893 -14.627 1.159 1.00 0.88 H new ATOM 0 HA3 GLY B 31 -15.329 -14.079 0.318 1.00 0.88 H new ATOM 2059 N SER B 32 -14.810 -11.547 0.546 1.00 0.74 N ATOM 2060 CA SER B 32 -14.233 -10.240 0.338 1.00 0.71 C ATOM 2061 C SER B 32 -15.136 -9.113 0.768 1.00 0.70 C ATOM 2062 O SER B 32 -16.270 -9.304 1.207 1.00 0.75 O ATOM 2063 CB SER B 32 -13.862 -10.042 -1.127 1.00 0.69 C ATOM 2064 OG SER B 32 -14.905 -10.481 -1.978 1.00 1.09 O ATOM 0 H SER B 32 -15.807 -11.625 0.347 1.00 0.74 H new ATOM 0 HA SER B 32 -13.342 -10.208 0.965 1.00 0.71 H new ATOM 0 HB2 SER B 32 -13.654 -8.988 -1.314 1.00 0.69 H new ATOM 0 HB3 SER B 32 -12.948 -10.592 -1.352 1.00 0.69 H new ATOM 0 HG SER B 32 -15.209 -9.734 -2.535 1.00 1.09 H new ATOM 2070 N LEU B 33 -14.579 -7.936 0.620 1.00 0.72 N ATOM 2071 CA LEU B 33 -15.246 -6.693 0.926 1.00 0.74 C ATOM 2072 C LEU B 33 -15.807 -6.138 -0.353 1.00 0.57 C ATOM 2073 O LEU B 33 -15.308 -6.482 -1.419 1.00 0.53 O ATOM 2074 CB LEU B 33 -14.241 -5.725 1.500 1.00 1.00 C ATOM 2075 CG LEU B 33 -14.611 -4.245 1.473 1.00 1.19 C ATOM 2076 CD1 LEU B 33 -14.022 -3.552 2.689 1.00 1.93 C ATOM 2077 CD2 LEU B 33 -14.116 -3.599 0.182 1.00 1.69 C ATOM 0 H LEU B 33 -13.627 -7.812 0.275 1.00 0.72 H new ATOM 0 HA LEU B 33 -16.046 -6.852 1.649 1.00 0.74 H new ATOM 0 HB2 LEU B 33 -14.051 -6.008 2.535 1.00 1.00 H new ATOM 0 HB3 LEU B 33 -13.303 -5.850 0.959 1.00 1.00 H new ATOM 0 HG LEU B 33 -15.696 -4.142 1.504 1.00 1.19 H new ATOM 0 HD11 LEU B 33 -14.287 -2.495 2.669 1.00 1.93 H new ATOM 0 HD12 LEU B 33 -14.419 -4.008 3.596 1.00 1.93 H new ATOM 0 HD13 LEU B 33 -12.937 -3.655 2.676 1.00 1.93 H new ATOM 0 HD21 LEU B 33 -14.387 -2.543 0.176 1.00 1.69 H new ATOM 0 HD22 LEU B 33 -13.032 -3.696 0.119 1.00 1.69 H new ATOM 0 HD23 LEU B 33 -14.575 -4.096 -0.673 1.00 1.69 H new ATOM 2089 N ASN B 34 -16.846 -5.311 -0.300 1.00 0.57 N ATOM 2090 CA ASN B 34 -17.383 -4.814 -1.541 1.00 0.47 C ATOM 2091 C ASN B 34 -17.284 -3.297 -1.617 1.00 0.41 C ATOM 2092 O ASN B 34 -16.191 -2.747 -1.526 1.00 0.56 O ATOM 2093 CB ASN B 34 -18.804 -5.361 -1.715 1.00 0.56 C ATOM 2094 CG ASN B 34 -19.265 -5.348 -3.157 1.00 1.38 C ATOM 2095 OD1 ASN B 34 -19.914 -4.409 -3.606 1.00 2.13 O ATOM 2096 ND2 ASN B 34 -18.929 -6.402 -3.893 1.00 2.12 N ATOM 0 H ASN B 34 -17.308 -4.988 0.550 1.00 0.57 H new ATOM 0 HA ASN B 34 -16.792 -5.170 -2.384 1.00 0.47 H new ATOM 0 HB2 ASN B 34 -18.845 -6.382 -1.334 1.00 0.56 H new ATOM 0 HB3 ASN B 34 -19.493 -4.769 -1.113 1.00 0.56 H new ATOM 0 HD21 ASN B 34 -19.212 -6.452 -4.872 1.00 2.12 H new ATOM 0 HD22 ASN B 34 -18.388 -7.161 -3.479 1.00 2.12 H new ATOM 2103 N ILE B 35 -18.387 -2.627 -1.849 1.00 0.53 N ATOM 2104 CA ILE B 35 -18.375 -1.176 -1.913 1.00 0.54 C ATOM 2105 C ILE B 35 -19.595 -0.575 -1.247 1.00 0.56 C ATOM 2106 O ILE B 35 -20.072 0.493 -1.632 1.00 0.63 O ATOM 2107 CB ILE B 35 -18.233 -0.643 -3.347 1.00 0.60 C ATOM 2108 CG1 ILE B 35 -18.902 -1.584 -4.348 1.00 0.70 C ATOM 2109 CG2 ILE B 35 -16.760 -0.456 -3.675 1.00 0.66 C ATOM 2110 CD1 ILE B 35 -20.362 -1.835 -4.050 1.00 1.04 C ATOM 0 H ILE B 35 -19.301 -3.055 -1.996 1.00 0.53 H new ATOM 0 HA ILE B 35 -17.489 -0.863 -1.361 1.00 0.54 H new ATOM 0 HB ILE B 35 -18.736 0.321 -3.419 1.00 0.60 H new ATOM 0 HG12 ILE B 35 -18.810 -1.163 -5.349 1.00 0.70 H new ATOM 0 HG13 ILE B 35 -18.371 -2.536 -4.352 1.00 0.70 H new ATOM 0 HG21 ILE B 35 -16.659 -0.078 -4.692 1.00 0.66 H new ATOM 0 HG22 ILE B 35 -16.320 0.257 -2.978 1.00 0.66 H new ATOM 0 HG23 ILE B 35 -16.244 -1.412 -3.591 1.00 0.66 H new ATOM 0 HD11 ILE B 35 -20.775 -2.511 -4.799 1.00 1.04 H new ATOM 0 HD12 ILE B 35 -20.460 -2.285 -3.062 1.00 1.04 H new ATOM 0 HD13 ILE B 35 -20.906 -0.891 -4.074 1.00 1.04 H new ATOM 2122 N ASN B 36 -20.089 -1.271 -0.236 1.00 0.59 N ATOM 2123 CA ASN B 36 -21.227 -0.802 0.523 1.00 0.63 C ATOM 2124 C ASN B 36 -20.743 0.208 1.532 1.00 0.59 C ATOM 2125 O ASN B 36 -21.091 1.385 1.446 1.00 0.59 O ATOM 2126 CB ASN B 36 -21.946 -1.961 1.207 1.00 0.70 C ATOM 2127 CG ASN B 36 -22.589 -2.910 0.215 1.00 1.34 C ATOM 2128 OD1 ASN B 36 -21.965 -3.869 -0.238 1.00 2.16 O ATOM 2129 ND2 ASN B 36 -23.845 -2.647 -0.128 1.00 1.90 N ATOM 0 H ASN B 36 -19.714 -2.167 0.076 1.00 0.59 H new ATOM 0 HA ASN B 36 -21.947 -0.334 -0.148 1.00 0.63 H new ATOM 0 HB2 ASN B 36 -21.236 -2.512 1.824 1.00 0.70 H new ATOM 0 HB3 ASN B 36 -22.711 -1.566 1.876 1.00 0.70 H new ATOM 0 HD21 ASN B 36 -24.330 -3.251 -0.792 1.00 1.90 H new ATOM 0 HD22 ASN B 36 -24.325 -1.841 0.272 1.00 1.90 H new ATOM 2136 N GLU B 37 -19.945 -0.225 2.504 1.00 0.58 N ATOM 2137 CA GLU B 37 -19.423 0.755 3.442 1.00 0.56 C ATOM 2138 C GLU B 37 -18.392 1.626 2.751 1.00 0.50 C ATOM 2139 O GLU B 37 -18.086 2.717 3.227 1.00 0.53 O ATOM 2140 CB GLU B 37 -18.821 0.137 4.681 1.00 0.68 C ATOM 2141 CG GLU B 37 -19.573 -1.069 5.184 1.00 0.76 C ATOM 2142 CD GLU B 37 -19.140 -1.470 6.580 1.00 0.77 C ATOM 2143 OE1 GLU B 37 -19.342 -0.669 7.517 1.00 1.28 O ATOM 2144 OE2 GLU B 37 -18.610 -2.589 6.737 1.00 1.41 O ATOM 0 H GLU B 37 -19.660 -1.192 2.657 1.00 0.58 H new ATOM 0 HA GLU B 37 -20.271 1.355 3.772 1.00 0.56 H new ATOM 0 HB2 GLU B 37 -17.791 -0.151 4.469 1.00 0.68 H new ATOM 0 HB3 GLU B 37 -18.786 0.888 5.470 1.00 0.68 H new ATOM 0 HG2 GLU B 37 -20.642 -0.855 5.184 1.00 0.76 H new ATOM 0 HG3 GLU B 37 -19.415 -1.904 4.502 1.00 0.76 H new ATOM 2151 N PHE B 38 -17.828 1.149 1.630 1.00 0.47 N ATOM 2152 CA PHE B 38 -16.882 1.953 0.875 1.00 0.43 C ATOM 2153 C PHE B 38 -17.524 3.315 0.633 1.00 0.45 C ATOM 2154 O PHE B 38 -16.863 4.346 0.617 1.00 0.46 O ATOM 2155 CB PHE B 38 -16.559 1.268 -0.458 1.00 0.43 C ATOM 2156 CG PHE B 38 -15.358 1.806 -1.184 1.00 0.41 C ATOM 2157 CD1 PHE B 38 -15.250 3.146 -1.507 1.00 1.21 C ATOM 2158 CD2 PHE B 38 -14.330 0.954 -1.544 1.00 1.30 C ATOM 2159 CE1 PHE B 38 -14.137 3.627 -2.170 1.00 1.21 C ATOM 2160 CE2 PHE B 38 -13.213 1.427 -2.206 1.00 1.32 C ATOM 2161 CZ PHE B 38 -13.117 2.766 -2.518 1.00 0.46 C ATOM 0 H PHE B 38 -18.013 0.225 1.240 1.00 0.47 H new ATOM 0 HA PHE B 38 -15.949 2.069 1.426 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -16.405 0.205 -0.273 1.00 0.43 H new ATOM 0 HB3 PHE B 38 -17.427 1.355 -1.112 1.00 0.43 H new ATOM 0 HD1 PHE B 38 -16.045 3.825 -1.238 1.00 1.21 H new ATOM 0 HD2 PHE B 38 -14.401 -0.097 -1.304 1.00 1.30 H new ATOM 0 HE1 PHE B 38 -14.066 4.676 -2.416 1.00 1.21 H new ATOM 0 HE2 PHE B 38 -12.417 0.749 -2.478 1.00 1.32 H new ATOM 0 HZ PHE B 38 -12.245 3.140 -3.034 1.00 0.46 H new ATOM 2171 N LYS B 39 -18.849 3.290 0.504 1.00 0.49 N ATOM 2172 CA LYS B 39 -19.624 4.501 0.285 1.00 0.53 C ATOM 2173 C LYS B 39 -19.429 5.485 1.430 1.00 0.54 C ATOM 2174 O LYS B 39 -19.746 6.670 1.327 1.00 0.58 O ATOM 2175 CB LYS B 39 -21.095 4.153 0.104 1.00 0.62 C ATOM 2176 CG LYS B 39 -21.301 3.022 -0.877 1.00 0.68 C ATOM 2177 CD LYS B 39 -22.052 3.470 -2.121 1.00 0.70 C ATOM 2178 CE LYS B 39 -23.440 3.996 -1.788 1.00 1.49 C ATOM 2179 NZ LYS B 39 -24.295 2.953 -1.162 1.00 1.82 N ATOM 0 H LYS B 39 -19.407 2.437 0.548 1.00 0.49 H new ATOM 0 HA LYS B 39 -19.269 4.983 -0.626 1.00 0.53 H new ATOM 0 HB2 LYS B 39 -21.522 3.877 1.068 1.00 0.62 H new ATOM 0 HB3 LYS B 39 -21.634 5.034 -0.243 1.00 0.62 H new ATOM 0 HG2 LYS B 39 -20.333 2.614 -1.167 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -21.854 2.218 -0.391 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -21.481 4.248 -2.629 1.00 0.70 H new ATOM 0 HD3 LYS B 39 -22.138 2.633 -2.814 1.00 0.70 H new ATOM 0 HE2 LYS B 39 -23.353 4.847 -1.112 1.00 1.49 H new ATOM 0 HE3 LYS B 39 -23.918 4.359 -2.698 1.00 1.49 H new ATOM 0 HZ1 LYS B 39 -25.275 3.295 -1.106 1.00 1.82 H new ATOM 0 HZ2 LYS B 39 -24.263 2.087 -1.737 1.00 1.82 H new ATOM 0 HZ3 LYS B 39 -23.945 2.746 -0.205 1.00 1.82 H new ATOM 2193 N GLU B 40 -18.951 4.980 2.542 1.00 0.53 N ATOM 2194 CA GLU B 40 -18.647 5.828 3.674 1.00 0.57 C ATOM 2195 C GLU B 40 -17.272 6.481 3.461 1.00 0.55 C ATOM 2196 O GLU B 40 -16.819 7.269 4.292 1.00 0.61 O ATOM 2197 CB GLU B 40 -18.656 5.004 4.973 1.00 0.61 C ATOM 2198 CG GLU B 40 -17.343 4.288 5.255 1.00 1.09 C ATOM 2199 CD GLU B 40 -17.537 2.922 5.883 1.00 1.91 C ATOM 2200 OE1 GLU B 40 -18.310 2.821 6.858 1.00 2.62 O ATOM 2201 OE2 GLU B 40 -16.913 1.952 5.401 1.00 2.42 O ATOM 0 H GLU B 40 -18.764 3.988 2.689 1.00 0.53 H new ATOM 0 HA GLU B 40 -19.405 6.607 3.760 1.00 0.57 H new ATOM 0 HB2 GLU B 40 -18.886 5.664 5.809 1.00 0.61 H new ATOM 0 HB3 GLU B 40 -19.457 4.267 4.919 1.00 0.61 H new ATOM 0 HG2 GLU B 40 -16.788 4.178 4.323 1.00 1.09 H new ATOM 0 HG3 GLU B 40 -16.735 4.904 5.918 1.00 1.09 H new ATOM 2208 N LEU B 41 -16.608 6.151 2.338 1.00 0.50 N ATOM 2209 CA LEU B 41 -15.289 6.665 2.066 1.00 0.50 C ATOM 2210 C LEU B 41 -15.332 8.060 1.500 1.00 0.55 C ATOM 2211 O LEU B 41 -15.349 9.016 2.255 1.00 0.63 O ATOM 2212 CB LEU B 41 -14.521 5.743 1.116 1.00 0.46 C ATOM 2213 CG LEU B 41 -14.194 4.349 1.650 1.00 0.44 C ATOM 2214 CD1 LEU B 41 -13.055 3.735 0.851 1.00 0.55 C ATOM 2215 CD2 LEU B 41 -13.849 4.395 3.133 1.00 0.66 C ATOM 0 H LEU B 41 -16.978 5.531 1.617 1.00 0.50 H new ATOM 0 HA LEU B 41 -14.766 6.704 3.022 1.00 0.50 H new ATOM 0 HB2 LEU B 41 -15.103 5.632 0.201 1.00 0.46 H new ATOM 0 HB3 LEU B 41 -13.587 6.233 0.843 1.00 0.46 H new ATOM 0 HG LEU B 41 -15.079 3.723 1.535 1.00 0.44 H new ATOM 0 HD11 LEU B 41 -12.831 2.742 1.241 1.00 0.55 H new ATOM 0 HD12 LEU B 41 -13.346 3.656 -0.196 1.00 0.55 H new ATOM 0 HD13 LEU B 41 -12.170 4.366 0.935 1.00 0.55 H new ATOM 0 HD21 LEU B 41 -13.621 3.389 3.485 1.00 0.66 H new ATOM 0 HD22 LEU B 41 -12.982 5.038 3.285 1.00 0.66 H new ATOM 0 HD23 LEU B 41 -14.697 4.791 3.692 1.00 0.66 H new ATOM 2227 N ALA B 42 -15.398 8.177 0.175 1.00 0.55 N ATOM 2228 CA ALA B 42 -15.374 9.494 -0.474 1.00 0.62 C ATOM 2229 C ALA B 42 -16.179 10.509 0.306 1.00 0.68 C ATOM 2230 O ALA B 42 -15.824 11.674 0.407 1.00 0.76 O ATOM 2231 CB ALA B 42 -15.913 9.410 -1.880 1.00 0.65 C ATOM 0 H ALA B 42 -15.468 7.388 -0.467 1.00 0.55 H new ATOM 0 HA ALA B 42 -14.333 9.817 -0.503 1.00 0.62 H new ATOM 0 HB1 ALA B 42 -15.885 10.398 -2.340 1.00 0.65 H new ATOM 0 HB2 ALA B 42 -15.302 8.721 -2.463 1.00 0.65 H new ATOM 0 HB3 ALA B 42 -16.942 9.051 -1.854 1.00 0.65 H new ATOM 2237 N THR B 43 -17.241 10.015 0.881 1.00 0.65 N ATOM 2238 CA THR B 43 -18.140 10.815 1.678 1.00 0.73 C ATOM 2239 C THR B 43 -17.402 11.481 2.839 1.00 0.78 C ATOM 2240 O THR B 43 -17.345 12.706 2.934 1.00 0.85 O ATOM 2241 CB THR B 43 -19.287 9.940 2.212 1.00 0.73 C ATOM 2242 OG1 THR B 43 -18.809 8.605 2.461 1.00 0.66 O ATOM 2243 CG2 THR B 43 -20.427 9.893 1.211 1.00 0.76 C ATOM 0 H THR B 43 -17.513 9.034 0.811 1.00 0.65 H new ATOM 0 HA THR B 43 -18.552 11.601 1.044 1.00 0.73 H new ATOM 0 HB THR B 43 -19.652 10.375 3.143 1.00 0.73 H new ATOM 0 HG1 THR B 43 -19.452 7.956 2.107 1.00 0.66 H new ATOM 0 HG21 THR B 43 -21.231 9.270 1.604 1.00 0.76 H new ATOM 0 HG22 THR B 43 -20.801 10.902 1.038 1.00 0.76 H new ATOM 0 HG23 THR B 43 -20.069 9.473 0.271 1.00 0.76 H new ATOM 2251 N GLN B 44 -16.852 10.659 3.722 1.00 0.76 N ATOM 2252 CA GLN B 44 -16.096 11.141 4.877 1.00 0.84 C ATOM 2253 C GLN B 44 -14.668 11.494 4.479 1.00 0.83 C ATOM 2254 O GLN B 44 -14.068 12.422 5.020 1.00 0.92 O ATOM 2255 CB GLN B 44 -16.109 10.059 5.961 1.00 0.87 C ATOM 2256 CG GLN B 44 -15.121 10.304 7.091 1.00 1.54 C ATOM 2257 CD GLN B 44 -15.247 9.286 8.208 1.00 2.04 C ATOM 2258 OE1 GLN B 44 -16.006 9.481 9.158 1.00 2.53 O ATOM 2259 NE2 GLN B 44 -14.501 8.194 8.101 1.00 2.74 N ATOM 0 H GLN B 44 -16.915 9.643 3.661 1.00 0.76 H new ATOM 0 HA GLN B 44 -16.560 12.048 5.264 1.00 0.84 H new ATOM 0 HB2 GLN B 44 -17.113 9.990 6.379 1.00 0.87 H new ATOM 0 HB3 GLN B 44 -15.888 9.096 5.501 1.00 0.87 H new ATOM 0 HG2 GLN B 44 -14.106 10.278 6.693 1.00 1.54 H new ATOM 0 HG3 GLN B 44 -15.279 11.304 7.496 1.00 1.54 H new ATOM 0 HE21 GLN B 44 -13.886 8.073 7.296 1.00 2.74 H new ATOM 0 HE22 GLN B 44 -14.543 7.475 8.823 1.00 2.74 H new ATOM 2268 N GLN B 45 -14.135 10.740 3.534 1.00 0.79 N ATOM 2269 CA GLN B 45 -12.802 10.957 3.027 1.00 0.82 C ATOM 2270 C GLN B 45 -12.764 12.244 2.235 1.00 0.78 C ATOM 2271 O GLN B 45 -11.706 12.848 2.077 1.00 0.79 O ATOM 2272 CB GLN B 45 -12.421 9.797 2.139 1.00 0.93 C ATOM 2273 CG GLN B 45 -12.456 8.466 2.854 1.00 0.95 C ATOM 2274 CD GLN B 45 -11.654 7.386 2.161 1.00 1.37 C ATOM 2275 OE1 GLN B 45 -11.259 6.415 2.801 1.00 2.35 O ATOM 2276 NE2 GLN B 45 -11.416 7.543 0.853 1.00 1.45 N ATOM 0 H GLN B 45 -14.622 9.957 3.098 1.00 0.79 H new ATOM 0 HA GLN B 45 -12.098 11.030 3.856 1.00 0.82 H new ATOM 0 HB2 GLN B 45 -13.099 9.762 1.286 1.00 0.93 H new ATOM 0 HB3 GLN B 45 -11.419 9.964 1.743 1.00 0.93 H new ATOM 0 HG2 GLN B 45 -12.075 8.597 3.867 1.00 0.95 H new ATOM 0 HG3 GLN B 45 -13.492 8.138 2.943 1.00 0.95 H new ATOM 0 HE21 GLN B 45 -11.766 8.368 0.366 1.00 1.45 H new ATOM 0 HE22 GLN B 45 -10.885 6.837 0.343 1.00 1.45 H new ATOM 2285 N LEU B 46 -13.938 12.658 1.717 1.00 0.78 N ATOM 2286 CA LEU B 46 -14.050 13.900 0.952 1.00 0.78 C ATOM 2287 C LEU B 46 -13.159 14.945 1.591 1.00 0.74 C ATOM 2288 O LEU B 46 -12.117 15.264 1.030 1.00 0.75 O ATOM 2289 CB LEU B 46 -15.501 14.415 0.878 1.00 0.83 C ATOM 2290 CG LEU B 46 -16.193 14.325 -0.494 1.00 1.04 C ATOM 2291 CD1 LEU B 46 -17.426 15.216 -0.521 1.00 1.25 C ATOM 2292 CD2 LEU B 46 -15.238 14.710 -1.615 1.00 1.30 C ATOM 0 H LEU B 46 -14.815 12.147 1.818 1.00 0.78 H new ATOM 0 HA LEU B 46 -13.734 13.700 -0.072 1.00 0.78 H new ATOM 0 HB2 LEU B 46 -16.098 13.856 1.599 1.00 0.83 H new ATOM 0 HB3 LEU B 46 -15.510 15.457 1.197 1.00 0.83 H new ATOM 0 HG LEU B 46 -16.500 13.291 -0.652 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -17.906 15.143 -1.497 1.00 1.25 H new ATOM 0 HD12 LEU B 46 -18.124 14.895 0.252 1.00 1.25 H new ATOM 0 HD13 LEU B 46 -17.132 16.249 -0.337 1.00 1.25 H new ATOM 0 HD21 LEU B 46 -15.753 14.637 -2.573 1.00 1.30 H new ATOM 0 HD22 LEU B 46 -14.894 15.733 -1.465 1.00 1.30 H new ATOM 0 HD23 LEU B 46 -14.382 14.035 -1.611 1.00 1.30 H new ATOM 2304 N PRO B 47 -13.500 15.463 2.791 1.00 0.78 N ATOM 2305 CA PRO B 47 -12.619 16.424 3.421 1.00 0.80 C ATOM 2306 C PRO B 47 -11.490 15.766 4.175 1.00 0.77 C ATOM 2307 O PRO B 47 -11.604 15.402 5.346 1.00 0.82 O ATOM 2308 CB PRO B 47 -13.552 17.116 4.405 1.00 0.91 C ATOM 2309 CG PRO B 47 -14.529 16.057 4.796 1.00 0.95 C ATOM 2310 CD PRO B 47 -14.710 15.187 3.582 1.00 0.90 C ATOM 0 HA PRO B 47 -12.137 17.081 2.697 1.00 0.80 H new ATOM 0 HB2 PRO B 47 -13.008 17.494 5.270 1.00 0.91 H new ATOM 0 HB3 PRO B 47 -14.052 17.969 3.946 1.00 0.91 H new ATOM 0 HG2 PRO B 47 -14.157 15.476 5.640 1.00 0.95 H new ATOM 0 HG3 PRO B 47 -15.477 16.497 5.105 1.00 0.95 H new ATOM 0 HD2 PRO B 47 -14.785 14.133 3.849 1.00 0.90 H new ATOM 0 HD3 PRO B 47 -15.617 15.443 3.034 1.00 0.90 H new ATOM 2318 N HIS B 48 -10.405 15.620 3.460 1.00 0.73 N ATOM 2319 CA HIS B 48 -9.162 15.121 3.980 1.00 0.75 C ATOM 2320 C HIS B 48 -8.215 16.278 4.238 1.00 0.83 C ATOM 2321 O HIS B 48 -8.643 17.425 4.369 1.00 0.91 O ATOM 2322 CB HIS B 48 -8.607 14.145 2.982 1.00 0.73 C ATOM 2323 CG HIS B 48 -8.629 12.727 3.497 1.00 0.98 C ATOM 2324 ND1 HIS B 48 -7.875 12.315 4.580 1.00 1.86 N ATOM 2325 CD2 HIS B 48 -9.342 11.638 3.114 1.00 1.34 C ATOM 2326 CE1 HIS B 48 -8.126 11.043 4.836 1.00 2.02 C ATOM 2327 NE2 HIS B 48 -9.014 10.610 3.963 1.00 1.59 N ATOM 0 H HIS B 48 -10.363 15.853 2.468 1.00 0.73 H new ATOM 0 HA HIS B 48 -9.305 14.609 4.932 1.00 0.75 H new ATOM 0 HB2 HIS B 48 -9.185 14.203 2.060 1.00 0.73 H new ATOM 0 HB3 HIS B 48 -7.583 14.424 2.735 1.00 0.73 H new ATOM 0 HD2 HIS B 48 -10.040 11.589 2.291 1.00 1.34 H new ATOM 0 HE1 HIS B 48 -7.680 10.458 5.626 1.00 2.02 H new ATOM 0 HE2 HIS B 48 -9.395 9.665 3.925 1.00 1.59 H new ATOM 2336 N LEU B 49 -6.924 15.977 4.305 1.00 0.89 N ATOM 2337 CA LEU B 49 -5.927 17.021 4.415 1.00 1.00 C ATOM 2338 C LEU B 49 -5.677 17.543 2.998 1.00 0.98 C ATOM 2339 O LEU B 49 -6.255 18.546 2.583 1.00 1.02 O ATOM 2340 CB LEU B 49 -4.630 16.501 5.047 1.00 1.10 C ATOM 2341 CG LEU B 49 -3.455 17.482 5.011 1.00 1.62 C ATOM 2342 CD1 LEU B 49 -3.796 18.750 5.778 1.00 2.02 C ATOM 2343 CD2 LEU B 49 -2.201 16.834 5.579 1.00 2.44 C ATOM 0 H LEU B 49 -6.551 15.028 4.285 1.00 0.89 H new ATOM 0 HA LEU B 49 -6.282 17.818 5.068 1.00 1.00 H new ATOM 0 HB2 LEU B 49 -4.830 16.235 6.085 1.00 1.10 H new ATOM 0 HB3 LEU B 49 -4.335 15.585 4.534 1.00 1.10 H new ATOM 0 HG LEU B 49 -3.262 17.750 3.972 1.00 1.62 H new ATOM 0 HD11 LEU B 49 -2.950 19.436 5.742 1.00 2.02 H new ATOM 0 HD12 LEU B 49 -4.667 19.225 5.327 1.00 2.02 H new ATOM 0 HD13 LEU B 49 -4.016 18.499 6.816 1.00 2.02 H new ATOM 0 HD21 LEU B 49 -1.376 17.546 5.545 1.00 2.44 H new ATOM 0 HD22 LEU B 49 -2.381 16.536 6.612 1.00 2.44 H new ATOM 0 HD23 LEU B 49 -1.946 15.955 4.987 1.00 2.44 H new ATOM 2355 N LEU B 50 -4.808 16.847 2.265 1.00 0.98 N ATOM 2356 CA LEU B 50 -4.518 17.184 0.871 1.00 1.01 C ATOM 2357 C LEU B 50 -5.551 16.508 -0.035 1.00 0.92 C ATOM 2358 O LEU B 50 -5.197 15.808 -0.982 1.00 1.01 O ATOM 2359 CB LEU B 50 -3.102 16.732 0.495 1.00 1.11 C ATOM 2360 CG LEU B 50 -2.646 17.125 -0.914 1.00 1.60 C ATOM 2361 CD1 LEU B 50 -2.692 18.635 -1.086 1.00 1.97 C ATOM 2362 CD2 LEU B 50 -1.245 16.597 -1.186 1.00 2.24 C ATOM 0 H LEU B 50 -4.290 16.042 2.616 1.00 0.98 H new ATOM 0 HA LEU B 50 -4.575 18.265 0.741 1.00 1.01 H new ATOM 0 HB2 LEU B 50 -2.400 17.150 1.217 1.00 1.11 H new ATOM 0 HB3 LEU B 50 -3.047 15.647 0.588 1.00 1.11 H new ATOM 0 HG LEU B 50 -3.328 16.677 -1.636 1.00 1.60 H new ATOM 0 HD11 LEU B 50 -2.365 18.897 -2.092 1.00 1.97 H new ATOM 0 HD12 LEU B 50 -3.712 18.988 -0.933 1.00 1.97 H new ATOM 0 HD13 LEU B 50 -2.032 19.105 -0.356 1.00 1.97 H new ATOM 0 HD21 LEU B 50 -0.936 16.885 -2.191 1.00 2.24 H new ATOM 0 HD22 LEU B 50 -0.550 17.017 -0.459 1.00 2.24 H new ATOM 0 HD23 LEU B 50 -1.243 15.510 -1.103 1.00 2.24 H new ATOM 2374 N LYS B 51 -6.828 16.723 0.265 1.00 0.85 N ATOM 2375 CA LYS B 51 -7.915 16.101 -0.466 1.00 0.80 C ATOM 2376 C LYS B 51 -7.690 16.025 -1.972 1.00 0.89 C ATOM 2377 O LYS B 51 -6.885 16.757 -2.548 1.00 1.04 O ATOM 2378 CB LYS B 51 -9.231 16.809 -0.139 1.00 0.95 C ATOM 2379 CG LYS B 51 -10.387 16.515 -1.106 1.00 1.24 C ATOM 2380 CD LYS B 51 -11.539 17.507 -0.964 1.00 2.12 C ATOM 2381 CE LYS B 51 -11.875 17.821 0.483 1.00 2.68 C ATOM 2382 NZ LYS B 51 -11.676 19.263 0.803 1.00 3.58 N ATOM 0 H LYS B 51 -7.133 17.334 1.022 1.00 0.85 H new ATOM 0 HA LYS B 51 -7.960 15.064 -0.134 1.00 0.80 H new ATOM 0 HB2 LYS B 51 -9.538 16.524 0.867 1.00 0.95 H new ATOM 0 HB3 LYS B 51 -9.053 17.884 -0.126 1.00 0.95 H new ATOM 0 HG2 LYS B 51 -10.014 16.541 -2.130 1.00 1.24 H new ATOM 0 HG3 LYS B 51 -10.758 15.506 -0.927 1.00 1.24 H new ATOM 0 HD2 LYS B 51 -11.281 18.432 -1.480 1.00 2.12 H new ATOM 0 HD3 LYS B 51 -12.423 17.102 -1.457 1.00 2.12 H new ATOM 0 HE2 LYS B 51 -12.910 17.545 0.683 1.00 2.68 H new ATOM 0 HE3 LYS B 51 -11.251 17.215 1.140 1.00 2.68 H new ATOM 0 HZ1 LYS B 51 -11.917 19.434 1.800 1.00 3.58 H new ATOM 0 HZ2 LYS B 51 -10.682 19.521 0.637 1.00 3.58 H new ATOM 0 HZ3 LYS B 51 -12.290 19.842 0.195 1.00 3.58 H new ATOM 2396 N ASP B 52 -8.439 15.108 -2.582 1.00 0.92 N ATOM 2397 CA ASP B 52 -8.399 14.880 -4.020 1.00 1.17 C ATOM 2398 C ASP B 52 -9.736 15.278 -4.653 1.00 1.24 C ATOM 2399 O ASP B 52 -9.803 15.548 -5.850 1.00 1.47 O ATOM 2400 CB ASP B 52 -8.090 13.410 -4.313 1.00 1.29 C ATOM 2401 CG ASP B 52 -7.995 13.124 -5.798 1.00 1.87 C ATOM 2402 OD1 ASP B 52 -9.050 12.915 -6.432 1.00 2.35 O ATOM 2403 OD2 ASP B 52 -6.863 13.108 -6.326 1.00 2.61 O ATOM 0 H ASP B 52 -9.093 14.501 -2.088 1.00 0.92 H new ATOM 0 HA ASP B 52 -7.610 15.495 -4.452 1.00 1.17 H new ATOM 0 HB2 ASP B 52 -7.151 13.136 -3.832 1.00 1.29 H new ATOM 0 HB3 ASP B 52 -8.867 12.784 -3.874 1.00 1.29 H new ATOM 2408 N VAL B 53 -10.795 15.276 -3.828 1.00 1.14 N ATOM 2409 CA VAL B 53 -12.139 15.657 -4.233 1.00 1.27 C ATOM 2410 C VAL B 53 -12.853 14.533 -4.965 1.00 1.24 C ATOM 2411 O VAL B 53 -12.961 14.527 -6.191 1.00 1.46 O ATOM 2412 CB VAL B 53 -12.131 16.932 -5.078 1.00 1.58 C ATOM 2413 CG1 VAL B 53 -13.530 17.281 -5.572 1.00 2.18 C ATOM 2414 CG2 VAL B 53 -11.537 18.086 -4.285 1.00 1.92 C ATOM 0 H VAL B 53 -10.730 15.004 -2.847 1.00 1.14 H new ATOM 0 HA VAL B 53 -12.695 15.861 -3.318 1.00 1.27 H new ATOM 0 HB VAL B 53 -11.508 16.752 -5.954 1.00 1.58 H new ATOM 0 HG11 VAL B 53 -13.488 18.192 -6.169 1.00 2.18 H new ATOM 0 HG12 VAL B 53 -13.914 16.464 -6.183 1.00 2.18 H new ATOM 0 HG13 VAL B 53 -14.189 17.437 -4.718 1.00 2.18 H new ATOM 0 HG21 VAL B 53 -11.537 18.987 -4.898 1.00 1.92 H new ATOM 0 HG22 VAL B 53 -12.133 18.257 -3.389 1.00 1.92 H new ATOM 0 HG23 VAL B 53 -10.514 17.842 -3.999 1.00 1.92 H new ATOM 2424 N GLY B 54 -13.314 13.573 -4.183 1.00 1.06 N ATOM 2425 CA GLY B 54 -14.052 12.441 -4.727 1.00 1.09 C ATOM 2426 C GLY B 54 -15.270 12.871 -5.519 1.00 1.13 C ATOM 2427 O GLY B 54 -16.352 13.057 -4.961 1.00 1.23 O ATOM 0 H GLY B 54 -13.192 13.552 -3.171 1.00 1.06 H new ATOM 0 HA2 GLY B 54 -13.393 11.856 -5.369 1.00 1.09 H new ATOM 0 HA3 GLY B 54 -14.364 11.789 -3.911 1.00 1.09 H new ATOM 2431 N SER B 55 -15.093 13.032 -6.825 1.00 1.16 N ATOM 2432 CA SER B 55 -16.178 13.445 -7.703 1.00 1.24 C ATOM 2433 C SER B 55 -17.351 12.472 -7.620 1.00 1.10 C ATOM 2434 O SER B 55 -17.165 11.278 -7.386 1.00 1.09 O ATOM 2435 CB SER B 55 -15.665 13.543 -9.134 1.00 1.40 C ATOM 2436 OG SER B 55 -16.589 14.222 -9.968 1.00 1.62 O ATOM 0 H SER B 55 -14.203 12.882 -7.300 1.00 1.16 H new ATOM 0 HA SER B 55 -16.536 14.423 -7.381 1.00 1.24 H new ATOM 0 HB2 SER B 55 -14.709 14.067 -9.145 1.00 1.40 H new ATOM 0 HB3 SER B 55 -15.484 12.542 -9.527 1.00 1.40 H new ATOM 0 HG SER B 55 -16.232 14.271 -10.879 1.00 1.62 H new ATOM 2442 N LEU B 56 -18.559 12.993 -7.817 1.00 1.15 N ATOM 2443 CA LEU B 56 -19.772 12.182 -7.747 1.00 1.10 C ATOM 2444 C LEU B 56 -19.618 10.858 -8.492 1.00 0.98 C ATOM 2445 O LEU B 56 -19.442 9.809 -7.875 1.00 0.97 O ATOM 2446 CB LEU B 56 -20.966 12.961 -8.306 1.00 1.28 C ATOM 2447 CG LEU B 56 -22.305 12.222 -8.255 1.00 2.03 C ATOM 2448 CD1 LEU B 56 -22.690 11.915 -6.817 1.00 2.61 C ATOM 2449 CD2 LEU B 56 -23.391 13.040 -8.937 1.00 2.83 C ATOM 0 H LEU B 56 -18.725 13.977 -8.027 1.00 1.15 H new ATOM 0 HA LEU B 56 -19.949 11.952 -6.696 1.00 1.10 H new ATOM 0 HB2 LEU B 56 -21.063 13.894 -7.752 1.00 1.28 H new ATOM 0 HB3 LEU B 56 -20.754 13.226 -9.342 1.00 1.28 H new ATOM 0 HG LEU B 56 -22.199 11.278 -8.790 1.00 2.03 H new ATOM 0 HD11 LEU B 56 -23.645 11.389 -6.800 1.00 2.61 H new ATOM 0 HD12 LEU B 56 -21.923 11.289 -6.361 1.00 2.61 H new ATOM 0 HD13 LEU B 56 -22.779 12.846 -6.257 1.00 2.61 H new ATOM 0 HD21 LEU B 56 -24.336 12.499 -8.891 1.00 2.83 H new ATOM 0 HD22 LEU B 56 -23.497 13.999 -8.430 1.00 2.83 H new ATOM 0 HD23 LEU B 56 -23.119 13.208 -9.979 1.00 2.83 H new ATOM 2461 N ASP B 57 -19.688 10.913 -9.817 1.00 1.00 N ATOM 2462 CA ASP B 57 -19.567 9.712 -10.635 1.00 1.01 C ATOM 2463 C ASP B 57 -18.341 8.920 -10.266 1.00 0.95 C ATOM 2464 O ASP B 57 -18.360 7.690 -10.211 1.00 0.97 O ATOM 2465 CB ASP B 57 -19.492 10.059 -12.111 1.00 1.15 C ATOM 2466 CG ASP B 57 -20.856 10.130 -12.768 1.00 1.69 C ATOM 2467 OD1 ASP B 57 -21.371 9.070 -13.183 1.00 2.48 O ATOM 2468 OD2 ASP B 57 -21.409 11.245 -12.867 1.00 2.19 O ATOM 0 H ASP B 57 -19.827 11.774 -10.347 1.00 1.00 H new ATOM 0 HA ASP B 57 -20.457 9.112 -10.446 1.00 1.01 H new ATOM 0 HB2 ASP B 57 -18.987 11.018 -12.229 1.00 1.15 H new ATOM 0 HB3 ASP B 57 -18.885 9.313 -12.624 1.00 1.15 H new ATOM 2473 N GLU B 58 -17.279 9.643 -10.013 1.00 0.94 N ATOM 2474 CA GLU B 58 -16.011 9.040 -9.646 1.00 0.95 C ATOM 2475 C GLU B 58 -16.231 8.116 -8.473 1.00 0.87 C ATOM 2476 O GLU B 58 -15.626 7.050 -8.378 1.00 0.90 O ATOM 2477 CB GLU B 58 -14.981 10.110 -9.281 1.00 0.98 C ATOM 2478 CG GLU B 58 -13.605 9.541 -8.978 1.00 1.44 C ATOM 2479 CD GLU B 58 -12.599 10.608 -8.595 1.00 1.80 C ATOM 2480 OE1 GLU B 58 -12.516 10.943 -7.394 1.00 2.42 O ATOM 2481 OE2 GLU B 58 -11.894 11.110 -9.496 1.00 2.29 O ATOM 0 H GLU B 58 -17.263 10.662 -10.054 1.00 0.94 H new ATOM 0 HA GLU B 58 -15.625 8.479 -10.497 1.00 0.95 H new ATOM 0 HB2 GLU B 58 -14.899 10.821 -10.103 1.00 0.98 H new ATOM 0 HB3 GLU B 58 -15.336 10.665 -8.413 1.00 0.98 H new ATOM 0 HG2 GLU B 58 -13.687 8.817 -8.167 1.00 1.44 H new ATOM 0 HG3 GLU B 58 -13.240 9.001 -9.852 1.00 1.44 H new ATOM 2488 N LYS B 59 -17.128 8.536 -7.592 1.00 0.81 N ATOM 2489 CA LYS B 59 -17.454 7.756 -6.422 1.00 0.76 C ATOM 2490 C LYS B 59 -18.398 6.615 -6.754 1.00 0.80 C ATOM 2491 O LYS B 59 -18.455 5.627 -6.028 1.00 0.79 O ATOM 2492 CB LYS B 59 -18.044 8.638 -5.322 1.00 0.75 C ATOM 2493 CG LYS B 59 -17.048 9.651 -4.761 1.00 0.75 C ATOM 2494 CD LYS B 59 -17.706 10.719 -3.899 1.00 1.14 C ATOM 2495 CE LYS B 59 -18.826 11.437 -4.628 1.00 1.95 C ATOM 2496 NZ LYS B 59 -19.403 12.539 -3.810 1.00 2.67 N ATOM 0 H LYS B 59 -17.640 9.415 -7.672 1.00 0.81 H new ATOM 0 HA LYS B 59 -16.524 7.322 -6.054 1.00 0.76 H new ATOM 0 HB2 LYS B 59 -18.909 9.170 -5.717 1.00 0.75 H new ATOM 0 HB3 LYS B 59 -18.403 8.004 -4.511 1.00 0.75 H new ATOM 0 HG2 LYS B 59 -16.298 9.126 -4.169 1.00 0.75 H new ATOM 0 HG3 LYS B 59 -16.523 10.131 -5.587 1.00 0.75 H new ATOM 0 HD2 LYS B 59 -18.101 10.259 -2.993 1.00 1.14 H new ATOM 0 HD3 LYS B 59 -16.955 11.445 -3.587 1.00 1.14 H new ATOM 0 HE2 LYS B 59 -18.448 11.841 -5.567 1.00 1.95 H new ATOM 0 HE3 LYS B 59 -19.610 10.724 -4.881 1.00 1.95 H new ATOM 0 HZ1 LYS B 59 -20.165 13.005 -4.343 1.00 2.67 H new ATOM 0 HZ2 LYS B 59 -19.787 12.150 -2.925 1.00 2.67 H new ATOM 0 HZ3 LYS B 59 -18.661 13.233 -3.590 1.00 2.67 H new ATOM 2510 N MET B 60 -19.139 6.753 -7.847 1.00 0.86 N ATOM 2511 CA MET B 60 -20.080 5.715 -8.263 1.00 0.92 C ATOM 2512 C MET B 60 -19.382 4.596 -9.028 1.00 0.96 C ATOM 2513 O MET B 60 -19.645 3.415 -8.799 1.00 1.01 O ATOM 2514 CB MET B 60 -21.198 6.323 -9.110 1.00 1.00 C ATOM 2515 CG MET B 60 -22.040 7.343 -8.360 1.00 1.01 C ATOM 2516 SD MET B 60 -23.396 7.993 -9.354 1.00 1.74 S ATOM 2517 CE MET B 60 -24.353 6.505 -9.632 1.00 2.31 C ATOM 0 H MET B 60 -19.109 7.568 -8.460 1.00 0.86 H new ATOM 0 HA MET B 60 -20.512 5.278 -7.363 1.00 0.92 H new ATOM 0 HB2 MET B 60 -20.760 6.799 -9.987 1.00 1.00 H new ATOM 0 HB3 MET B 60 -21.845 5.524 -9.471 1.00 1.00 H new ATOM 0 HG2 MET B 60 -22.444 6.882 -7.459 1.00 1.01 H new ATOM 0 HG3 MET B 60 -21.403 8.167 -8.038 1.00 1.01 H new ATOM 0 HE1 MET B 60 -25.385 6.773 -9.857 1.00 2.31 H new ATOM 0 HE2 MET B 60 -23.930 5.952 -10.471 1.00 2.31 H new ATOM 0 HE3 MET B 60 -24.327 5.883 -8.737 1.00 2.31 H new ATOM 2527 N LYS B 61 -18.499 4.971 -9.939 1.00 0.97 N ATOM 2528 CA LYS B 61 -17.764 3.999 -10.738 1.00 1.02 C ATOM 2529 C LYS B 61 -16.766 3.230 -9.886 1.00 0.96 C ATOM 2530 O LYS B 61 -16.689 2.003 -9.957 1.00 0.92 O ATOM 2531 CB LYS B 61 -17.056 4.714 -11.888 1.00 1.09 C ATOM 2532 CG LYS B 61 -15.971 3.893 -12.563 1.00 1.55 C ATOM 2533 CD LYS B 61 -15.200 4.717 -13.583 1.00 2.08 C ATOM 2534 CE LYS B 61 -16.129 5.332 -14.618 1.00 2.60 C ATOM 2535 NZ LYS B 61 -16.920 4.299 -15.341 1.00 3.16 N ATOM 0 H LYS B 61 -18.272 5.944 -10.145 1.00 0.97 H new ATOM 0 HA LYS B 61 -18.470 3.276 -11.147 1.00 1.02 H new ATOM 0 HB2 LYS B 61 -17.797 4.998 -12.635 1.00 1.09 H new ATOM 0 HB3 LYS B 61 -16.615 5.636 -11.510 1.00 1.09 H new ATOM 0 HG2 LYS B 61 -15.283 3.508 -11.810 1.00 1.55 H new ATOM 0 HG3 LYS B 61 -16.420 3.030 -13.055 1.00 1.55 H new ATOM 0 HD2 LYS B 61 -14.648 5.507 -13.073 1.00 2.08 H new ATOM 0 HD3 LYS B 61 -14.465 4.086 -14.082 1.00 2.08 H new ATOM 0 HE2 LYS B 61 -16.807 6.030 -14.127 1.00 2.60 H new ATOM 0 HE3 LYS B 61 -15.543 5.907 -15.335 1.00 2.60 H new ATOM 0 HZ1 LYS B 61 -17.410 4.738 -16.146 1.00 3.16 H new ATOM 0 HZ2 LYS B 61 -16.283 3.554 -15.688 1.00 3.16 H new ATOM 0 HZ3 LYS B 61 -17.620 3.882 -14.695 1.00 3.16 H new ATOM 2549 N THR B 62 -16.008 3.953 -9.077 1.00 0.99 N ATOM 2550 CA THR B 62 -15.006 3.333 -8.224 1.00 0.96 C ATOM 2551 C THR B 62 -15.579 2.146 -7.454 1.00 0.87 C ATOM 2552 O THR B 62 -14.841 1.256 -7.040 1.00 0.84 O ATOM 2553 CB THR B 62 -14.407 4.349 -7.238 1.00 1.03 C ATOM 2554 OG1 THR B 62 -13.792 5.415 -7.961 1.00 1.13 O ATOM 2555 CG2 THR B 62 -13.385 3.691 -6.327 1.00 1.05 C ATOM 0 H THR B 62 -16.067 4.968 -8.993 1.00 0.99 H new ATOM 0 HA THR B 62 -14.215 2.970 -8.880 1.00 0.96 H new ATOM 0 HB THR B 62 -15.214 4.741 -6.619 1.00 1.03 H new ATOM 0 HG1 THR B 62 -14.451 5.829 -8.556 1.00 1.13 H new ATOM 0 HG21 THR B 62 -12.978 4.433 -5.640 1.00 1.05 H new ATOM 0 HG22 THR B 62 -13.864 2.895 -5.758 1.00 1.05 H new ATOM 0 HG23 THR B 62 -12.578 3.272 -6.928 1.00 1.05 H new ATOM 2563 N LEU B 63 -16.891 2.139 -7.255 1.00 0.86 N ATOM 2564 CA LEU B 63 -17.536 1.038 -6.553 1.00 0.83 C ATOM 2565 C LEU B 63 -17.219 -0.283 -7.245 1.00 0.80 C ATOM 2566 O LEU B 63 -16.342 -1.034 -6.818 1.00 0.89 O ATOM 2567 CB LEU B 63 -19.048 1.234 -6.525 1.00 0.95 C ATOM 2568 CG LEU B 63 -19.592 2.088 -5.381 1.00 0.92 C ATOM 2569 CD1 LEU B 63 -19.979 3.461 -5.890 1.00 1.05 C ATOM 2570 CD2 LEU B 63 -20.790 1.412 -4.735 1.00 1.41 C ATOM 0 H LEU B 63 -17.524 2.876 -7.567 1.00 0.86 H new ATOM 0 HA LEU B 63 -17.157 1.018 -5.531 1.00 0.83 H new ATOM 0 HB2 LEU B 63 -19.353 1.688 -7.468 1.00 0.95 H new ATOM 0 HB3 LEU B 63 -19.521 0.253 -6.476 1.00 0.95 H new ATOM 0 HG LEU B 63 -18.810 2.199 -4.630 1.00 0.92 H new ATOM 0 HD11 LEU B 63 -20.365 4.059 -5.065 1.00 1.05 H new ATOM 0 HD12 LEU B 63 -19.103 3.951 -6.315 1.00 1.05 H new ATOM 0 HD13 LEU B 63 -20.747 3.362 -6.657 1.00 1.05 H new ATOM 0 HD21 LEU B 63 -21.164 2.034 -3.922 1.00 1.41 H new ATOM 0 HD22 LEU B 63 -21.575 1.275 -5.479 1.00 1.41 H new ATOM 0 HD23 LEU B 63 -20.491 0.441 -4.340 1.00 1.41 H new ATOM 2582 N ASP B 64 -17.934 -0.550 -8.333 1.00 0.78 N ATOM 2583 CA ASP B 64 -17.739 -1.778 -9.095 1.00 0.81 C ATOM 2584 C ASP B 64 -16.262 -2.006 -9.392 1.00 0.81 C ATOM 2585 O ASP B 64 -15.836 -3.136 -9.622 1.00 0.88 O ATOM 2586 CB ASP B 64 -18.522 -1.724 -10.399 1.00 0.91 C ATOM 2587 CG ASP B 64 -20.015 -1.587 -10.172 1.00 1.34 C ATOM 2588 OD1 ASP B 64 -20.697 -2.628 -10.068 1.00 1.96 O ATOM 2589 OD2 ASP B 64 -20.502 -0.439 -10.097 1.00 2.05 O ATOM 0 H ASP B 64 -18.654 0.068 -8.707 1.00 0.78 H new ATOM 0 HA ASP B 64 -18.105 -2.608 -8.491 1.00 0.81 H new ATOM 0 HB2 ASP B 64 -18.170 -0.883 -10.997 1.00 0.91 H new ATOM 0 HB3 ASP B 64 -18.326 -2.629 -10.975 1.00 0.91 H new ATOM 2594 N VAL B 65 -15.489 -0.925 -9.411 1.00 0.81 N ATOM 2595 CA VAL B 65 -14.057 -1.020 -9.655 1.00 0.87 C ATOM 2596 C VAL B 65 -13.358 -1.529 -8.399 1.00 0.77 C ATOM 2597 O VAL B 65 -12.906 -2.671 -8.345 1.00 0.83 O ATOM 2598 CB VAL B 65 -13.462 0.344 -10.063 1.00 0.95 C ATOM 2599 CG1 VAL B 65 -11.954 0.246 -10.240 1.00 1.06 C ATOM 2600 CG2 VAL B 65 -14.121 0.851 -11.337 1.00 1.07 C ATOM 0 H VAL B 65 -15.831 0.024 -9.261 1.00 0.81 H new ATOM 0 HA VAL B 65 -13.899 -1.717 -10.478 1.00 0.87 H new ATOM 0 HB VAL B 65 -13.662 1.057 -9.263 1.00 0.95 H new ATOM 0 HG11 VAL B 65 -11.557 1.220 -10.528 1.00 1.06 H new ATOM 0 HG12 VAL B 65 -11.497 -0.069 -9.302 1.00 1.06 H new ATOM 0 HG13 VAL B 65 -11.726 -0.483 -11.018 1.00 1.06 H new ATOM 0 HG21 VAL B 65 -13.690 1.814 -11.611 1.00 1.07 H new ATOM 0 HG22 VAL B 65 -13.954 0.136 -12.143 1.00 1.07 H new ATOM 0 HG23 VAL B 65 -15.192 0.967 -11.171 1.00 1.07 H new ATOM 2610 N ASN B 66 -13.268 -0.664 -7.396 1.00 0.72 N ATOM 2611 CA ASN B 66 -12.660 -1.018 -6.120 1.00 0.67 C ATOM 2612 C ASN B 66 -13.654 -1.749 -5.231 1.00 0.56 C ATOM 2613 O ASN B 66 -13.830 -1.392 -4.065 1.00 0.57 O ATOM 2614 CB ASN B 66 -12.205 0.233 -5.388 1.00 0.81 C ATOM 2615 CG ASN B 66 -11.006 0.912 -6.033 1.00 0.82 C ATOM 2616 OD1 ASN B 66 -10.946 2.138 -6.114 1.00 1.52 O ATOM 2617 ND2 ASN B 66 -10.027 0.124 -6.469 1.00 1.10 N ATOM 0 H ASN B 66 -13.612 0.295 -7.443 1.00 0.72 H new ATOM 0 HA ASN B 66 -11.808 -1.665 -6.331 1.00 0.67 H new ATOM 0 HB2 ASN B 66 -13.033 0.940 -5.345 1.00 0.81 H new ATOM 0 HB3 ASN B 66 -11.955 -0.028 -4.360 1.00 0.81 H new ATOM 0 HD21 ASN B 66 -9.191 0.533 -6.887 1.00 1.10 H new ATOM 0 HD22 ASN B 66 -10.112 -0.889 -6.385 1.00 1.10 H new ATOM 2624 N GLN B 67 -14.303 -2.766 -5.761 1.00 0.63 N ATOM 2625 CA GLN B 67 -15.281 -3.488 -4.979 1.00 0.68 C ATOM 2626 C GLN B 67 -14.605 -4.383 -3.954 1.00 0.61 C ATOM 2627 O GLN B 67 -14.865 -4.290 -2.760 1.00 0.66 O ATOM 2628 CB GLN B 67 -16.217 -4.281 -5.896 1.00 0.90 C ATOM 2629 CG GLN B 67 -15.673 -5.595 -6.438 1.00 0.74 C ATOM 2630 CD GLN B 67 -14.505 -5.424 -7.395 1.00 1.20 C ATOM 2631 OE1 GLN B 67 -14.482 -4.499 -8.200 1.00 2.01 O ATOM 2632 NE2 GLN B 67 -13.506 -6.301 -7.287 1.00 1.44 N ATOM 0 H GLN B 67 -14.173 -3.106 -6.714 1.00 0.63 H new ATOM 0 HA GLN B 67 -15.886 -2.768 -4.428 1.00 0.68 H new ATOM 0 HB2 GLN B 67 -17.136 -4.491 -5.349 1.00 0.90 H new ATOM 0 HB3 GLN B 67 -16.487 -3.647 -6.741 1.00 0.90 H new ATOM 0 HG2 GLN B 67 -15.358 -6.220 -5.602 1.00 0.74 H new ATOM 0 HG3 GLN B 67 -16.475 -6.127 -6.949 1.00 0.74 H new ATOM 0 HE21 GLN B 67 -13.563 -7.057 -6.605 1.00 1.44 H new ATOM 0 HE22 GLN B 67 -12.685 -6.216 -7.887 1.00 1.44 H new ATOM 2641 N ASP B 68 -13.719 -5.232 -4.421 1.00 0.59 N ATOM 2642 CA ASP B 68 -13.012 -6.139 -3.558 1.00 0.62 C ATOM 2643 C ASP B 68 -11.747 -5.506 -3.014 1.00 0.59 C ATOM 2644 O ASP B 68 -10.858 -6.218 -2.554 1.00 0.65 O ATOM 2645 CB ASP B 68 -12.706 -7.439 -4.283 1.00 0.73 C ATOM 2646 CG ASP B 68 -13.956 -8.255 -4.548 1.00 0.97 C ATOM 2647 OD1 ASP B 68 -14.604 -8.680 -3.570 1.00 1.58 O ATOM 2648 OD2 ASP B 68 -14.287 -8.466 -5.733 1.00 1.50 O ATOM 0 H ASP B 68 -13.471 -5.310 -5.407 1.00 0.59 H new ATOM 0 HA ASP B 68 -13.656 -6.367 -2.708 1.00 0.62 H new ATOM 0 HB2 ASP B 68 -12.211 -7.218 -5.229 1.00 0.73 H new ATOM 0 HB3 ASP B 68 -12.008 -8.029 -3.689 1.00 0.73 H new ATOM 2653 N SER B 69 -11.678 -4.159 -3.038 1.00 0.56 N ATOM 2654 CA SER B 69 -10.501 -3.424 -2.553 1.00 0.58 C ATOM 2655 C SER B 69 -9.952 -4.097 -1.313 1.00 0.62 C ATOM 2656 O SER B 69 -8.748 -4.111 -1.069 1.00 0.74 O ATOM 2657 CB SER B 69 -10.870 -1.968 -2.255 1.00 0.66 C ATOM 2658 OG SER B 69 -10.057 -1.430 -1.227 1.00 1.74 O ATOM 0 H SER B 69 -12.426 -3.562 -3.389 1.00 0.56 H new ATOM 0 HA SER B 69 -9.733 -3.431 -3.326 1.00 0.58 H new ATOM 0 HB2 SER B 69 -10.759 -1.370 -3.160 1.00 0.66 H new ATOM 0 HB3 SER B 69 -11.918 -1.909 -1.961 1.00 0.66 H new ATOM 0 HG SER B 69 -10.155 -0.455 -1.208 1.00 1.74 H new ATOM 2664 N GLU B 70 -10.870 -4.657 -0.546 1.00 0.63 N ATOM 2665 CA GLU B 70 -10.524 -5.424 0.627 1.00 0.76 C ATOM 2666 C GLU B 70 -10.856 -6.851 0.321 1.00 0.77 C ATOM 2667 O GLU B 70 -11.763 -7.129 -0.466 1.00 0.81 O ATOM 2668 CB GLU B 70 -11.304 -4.979 1.853 1.00 0.84 C ATOM 2669 CG GLU B 70 -11.690 -6.123 2.820 1.00 1.33 C ATOM 2670 CD GLU B 70 -10.499 -6.780 3.493 1.00 2.19 C ATOM 2671 OE1 GLU B 70 -9.362 -6.570 3.022 1.00 2.87 O ATOM 2672 OE2 GLU B 70 -10.705 -7.500 4.491 1.00 2.73 O ATOM 0 H GLU B 70 -11.873 -4.591 -0.722 1.00 0.63 H new ATOM 0 HA GLU B 70 -9.467 -5.284 0.855 1.00 0.76 H new ATOM 0 HB2 GLU B 70 -10.711 -4.245 2.398 1.00 0.84 H new ATOM 0 HB3 GLU B 70 -12.213 -4.475 1.526 1.00 0.84 H new ATOM 0 HG2 GLU B 70 -12.358 -5.729 3.586 1.00 1.33 H new ATOM 0 HG3 GLU B 70 -12.248 -6.880 2.269 1.00 1.33 H new ATOM 2679 N LEU B 71 -10.141 -7.753 0.926 1.00 0.79 N ATOM 2680 CA LEU B 71 -10.410 -9.115 0.683 1.00 0.83 C ATOM 2681 C LEU B 71 -10.183 -10.020 1.898 1.00 0.81 C ATOM 2682 O LEU B 71 -9.445 -9.701 2.810 1.00 0.86 O ATOM 2683 CB LEU B 71 -9.546 -9.448 -0.483 1.00 0.99 C ATOM 2684 CG LEU B 71 -9.320 -10.873 -0.758 1.00 0.78 C ATOM 2685 CD1 LEU B 71 -8.411 -11.561 0.254 1.00 1.89 C ATOM 2686 CD2 LEU B 71 -10.642 -11.527 -0.969 1.00 1.25 C ATOM 0 H LEU B 71 -9.381 -7.562 1.579 1.00 0.79 H new ATOM 0 HA LEU B 71 -11.465 -9.289 0.474 1.00 0.83 H new ATOM 0 HB2 LEU B 71 -9.987 -8.997 -1.372 1.00 0.99 H new ATOM 0 HB3 LEU B 71 -8.576 -8.974 -0.333 1.00 0.99 H new ATOM 0 HG LEU B 71 -8.744 -10.977 -1.677 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -8.293 -12.610 -0.017 1.00 1.89 H new ATOM 0 HD12 LEU B 71 -7.436 -11.075 0.256 1.00 1.89 H new ATOM 0 HD13 LEU B 71 -8.854 -11.491 1.248 1.00 1.89 H new ATOM 0 HD21 LEU B 71 -10.495 -12.587 -1.175 1.00 1.25 H new ATOM 0 HD22 LEU B 71 -11.252 -11.413 -0.073 1.00 1.25 H new ATOM 0 HD23 LEU B 71 -11.148 -11.060 -1.814 1.00 1.25 H new ATOM 2698 N ARG B 72 -10.942 -11.094 1.955 1.00 0.77 N ATOM 2699 CA ARG B 72 -10.792 -12.101 2.983 1.00 0.80 C ATOM 2700 C ARG B 72 -10.304 -13.390 2.308 1.00 0.69 C ATOM 2701 O ARG B 72 -9.552 -14.168 2.891 1.00 0.76 O ATOM 2702 CB ARG B 72 -12.118 -12.326 3.715 1.00 0.91 C ATOM 2703 CG ARG B 72 -13.045 -11.114 3.745 1.00 1.00 C ATOM 2704 CD ARG B 72 -12.304 -9.805 3.970 1.00 1.06 C ATOM 2705 NE ARG B 72 -11.099 -9.979 4.781 1.00 1.30 N ATOM 2706 CZ ARG B 72 -11.117 -10.143 6.100 1.00 1.18 C ATOM 2707 NH1 ARG B 72 -12.274 -10.167 6.750 1.00 1.55 N ATOM 2708 NH2 ARG B 72 -9.983 -10.281 6.770 1.00 1.42 N ATOM 0 H ARG B 72 -11.685 -11.294 1.285 1.00 0.77 H new ATOM 0 HA ARG B 72 -10.068 -11.778 3.730 1.00 0.80 H new ATOM 0 HB2 ARG B 72 -12.643 -13.156 3.241 1.00 0.91 H new ATOM 0 HB3 ARG B 72 -11.904 -12.628 4.740 1.00 0.91 H new ATOM 0 HG2 ARG B 72 -13.592 -11.058 2.804 1.00 1.00 H new ATOM 0 HG3 ARG B 72 -13.783 -11.248 4.535 1.00 1.00 H new ATOM 0 HD2 ARG B 72 -12.031 -9.375 3.006 1.00 1.06 H new ATOM 0 HD3 ARG B 72 -12.969 -9.094 4.460 1.00 1.06 H new ATOM 0 HE ARG B 72 -10.195 -9.974 4.308 1.00 1.30 H new ATOM 0 HH11 ARG B 72 -13.149 -10.060 6.237 1.00 1.55 H new ATOM 0 HH12 ARG B 72 -12.288 -10.293 7.762 1.00 1.55 H new ATOM 0 HH21 ARG B 72 -9.092 -10.262 6.274 1.00 1.42 H new ATOM 0 HH22 ARG B 72 -10.001 -10.407 7.782 1.00 1.42 H new ATOM 2722 N PHE B 73 -10.731 -13.578 1.047 1.00 0.60 N ATOM 2723 CA PHE B 73 -10.327 -14.727 0.233 1.00 0.57 C ATOM 2724 C PHE B 73 -9.145 -14.419 -0.749 1.00 0.52 C ATOM 2725 O PHE B 73 -8.015 -14.377 -0.317 1.00 0.63 O ATOM 2726 CB PHE B 73 -11.566 -15.372 -0.452 1.00 0.65 C ATOM 2727 CG PHE B 73 -12.124 -14.730 -1.703 1.00 0.59 C ATOM 2728 CD1 PHE B 73 -12.599 -13.432 -1.695 1.00 1.36 C ATOM 2729 CD2 PHE B 73 -12.173 -15.437 -2.893 1.00 1.24 C ATOM 2730 CE1 PHE B 73 -13.096 -12.843 -2.824 1.00 1.44 C ATOM 2731 CE2 PHE B 73 -12.680 -14.853 -4.040 1.00 1.32 C ATOM 2732 CZ PHE B 73 -13.139 -13.552 -4.007 1.00 0.87 C ATOM 0 H PHE B 73 -11.364 -12.937 0.569 1.00 0.60 H new ATOM 0 HA PHE B 73 -9.908 -15.474 0.907 1.00 0.57 H new ATOM 0 HB2 PHE B 73 -11.309 -16.403 -0.697 1.00 0.65 H new ATOM 0 HB3 PHE B 73 -12.368 -15.410 0.285 1.00 0.65 H new ATOM 0 HD1 PHE B 73 -12.577 -12.869 -0.774 1.00 1.36 H new ATOM 0 HD2 PHE B 73 -11.812 -16.454 -2.926 1.00 1.24 H new ATOM 0 HE1 PHE B 73 -13.454 -11.825 -2.790 1.00 1.44 H new ATOM 0 HE2 PHE B 73 -12.717 -15.415 -4.961 1.00 1.32 H new ATOM 0 HZ PHE B 73 -13.530 -13.091 -4.902 1.00 0.87 H new ATOM 2742 N SER B 74 -9.368 -14.119 -2.033 1.00 0.48 N ATOM 2743 CA SER B 74 -8.217 -13.950 -2.958 1.00 0.48 C ATOM 2744 C SER B 74 -8.102 -12.573 -3.578 1.00 0.42 C ATOM 2745 O SER B 74 -7.044 -12.198 -4.087 1.00 0.46 O ATOM 2746 CB SER B 74 -8.244 -14.984 -4.080 1.00 0.63 C ATOM 2747 OG SER B 74 -9.571 -15.327 -4.435 1.00 1.03 O ATOM 0 H SER B 74 -10.289 -13.991 -2.453 1.00 0.48 H new ATOM 0 HA SER B 74 -7.344 -14.094 -2.321 1.00 0.48 H new ATOM 0 HB2 SER B 74 -7.723 -14.590 -4.952 1.00 0.63 H new ATOM 0 HB3 SER B 74 -7.707 -15.879 -3.765 1.00 0.63 H new ATOM 0 HG SER B 74 -10.060 -15.615 -3.636 1.00 1.03 H new ATOM 2753 N GLU B 75 -9.171 -11.830 -3.540 1.00 0.43 N ATOM 2754 CA GLU B 75 -9.215 -10.473 -4.092 1.00 0.42 C ATOM 2755 C GLU B 75 -8.296 -9.462 -3.368 1.00 0.42 C ATOM 2756 O GLU B 75 -8.490 -8.254 -3.508 1.00 0.56 O ATOM 2757 CB GLU B 75 -10.642 -9.961 -3.986 1.00 0.44 C ATOM 2758 CG GLU B 75 -11.690 -10.887 -4.563 1.00 0.59 C ATOM 2759 CD GLU B 75 -11.800 -10.782 -6.071 1.00 0.93 C ATOM 2760 OE1 GLU B 75 -12.444 -9.827 -6.555 1.00 1.60 O ATOM 2761 OE2 GLU B 75 -11.241 -11.655 -6.768 1.00 1.41 O ATOM 0 H GLU B 75 -10.052 -12.135 -3.126 1.00 0.43 H new ATOM 0 HA GLU B 75 -8.861 -10.546 -5.120 1.00 0.42 H new ATOM 0 HB2 GLU B 75 -10.873 -9.783 -2.936 1.00 0.44 H new ATOM 0 HB3 GLU B 75 -10.707 -8.999 -4.494 1.00 0.44 H new ATOM 0 HG2 GLU B 75 -11.449 -11.915 -4.291 1.00 0.59 H new ATOM 0 HG3 GLU B 75 -12.657 -10.657 -4.116 1.00 0.59 H new ATOM 2768 N TYR B 76 -7.304 -9.932 -2.606 1.00 0.38 N ATOM 2769 CA TYR B 76 -6.441 -9.044 -1.861 1.00 0.38 C ATOM 2770 C TYR B 76 -5.640 -8.183 -2.803 1.00 0.39 C ATOM 2771 O TYR B 76 -5.260 -7.059 -2.481 1.00 0.42 O ATOM 2772 CB TYR B 76 -5.538 -9.836 -0.913 1.00 0.40 C ATOM 2773 CG TYR B 76 -5.979 -9.838 0.527 1.00 0.41 C ATOM 2774 CD1 TYR B 76 -6.725 -8.801 1.059 1.00 1.22 C ATOM 2775 CD2 TYR B 76 -5.664 -10.906 1.350 1.00 1.29 C ATOM 2776 CE1 TYR B 76 -7.139 -8.815 2.355 1.00 1.26 C ATOM 2777 CE2 TYR B 76 -6.081 -10.934 2.661 1.00 1.29 C ATOM 2778 CZ TYR B 76 -6.822 -9.886 3.164 1.00 0.48 C ATOM 2779 OH TYR B 76 -7.242 -9.906 4.474 1.00 0.54 O ATOM 0 H TYR B 76 -7.088 -10.923 -2.496 1.00 0.38 H new ATOM 0 HA TYR B 76 -7.057 -8.385 -1.249 1.00 0.38 H new ATOM 0 HB2 TYR B 76 -5.484 -10.867 -1.263 1.00 0.40 H new ATOM 0 HB3 TYR B 76 -4.529 -9.427 -0.969 1.00 0.40 H new ATOM 0 HD1 TYR B 76 -6.985 -7.961 0.431 1.00 1.22 H new ATOM 0 HD2 TYR B 76 -5.083 -11.728 0.958 1.00 1.29 H new ATOM 0 HE1 TYR B 76 -7.714 -7.990 2.749 1.00 1.26 H new ATOM 0 HE2 TYR B 76 -5.829 -11.773 3.293 1.00 1.29 H new ATOM 0 HH TYR B 76 -8.220 -9.858 4.505 1.00 0.54 H new ATOM 2789 N TRP B 77 -5.392 -8.712 -3.983 1.00 0.40 N ATOM 2790 CA TRP B 77 -4.694 -7.955 -5.010 1.00 0.43 C ATOM 2791 C TRP B 77 -5.452 -6.654 -5.250 1.00 0.45 C ATOM 2792 O TRP B 77 -4.914 -5.705 -5.809 1.00 0.50 O ATOM 2793 CB TRP B 77 -4.631 -8.767 -6.298 1.00 0.45 C ATOM 2794 CG TRP B 77 -5.989 -9.043 -6.850 1.00 0.45 C ATOM 2795 CD1 TRP B 77 -6.882 -8.121 -7.300 1.00 0.50 C ATOM 2796 CD2 TRP B 77 -6.623 -10.319 -6.982 1.00 0.46 C ATOM 2797 NE1 TRP B 77 -8.025 -8.741 -7.724 1.00 0.53 N ATOM 2798 CE2 TRP B 77 -7.894 -10.094 -7.539 1.00 0.51 C ATOM 2799 CE3 TRP B 77 -6.237 -11.627 -6.692 1.00 0.47 C ATOM 2800 CZ2 TRP B 77 -8.783 -11.131 -7.809 1.00 0.56 C ATOM 2801 CZ3 TRP B 77 -7.118 -12.657 -6.957 1.00 0.53 C ATOM 2802 CH2 TRP B 77 -8.378 -12.405 -7.511 1.00 0.56 C ATOM 0 H TRP B 77 -5.660 -9.657 -4.257 1.00 0.40 H new ATOM 0 HA TRP B 77 -3.676 -7.737 -4.687 1.00 0.43 H new ATOM 0 HB2 TRP B 77 -4.041 -8.227 -7.039 1.00 0.45 H new ATOM 0 HB3 TRP B 77 -4.118 -9.710 -6.108 1.00 0.45 H new ATOM 0 HD1 TRP B 77 -6.713 -7.054 -7.320 1.00 0.50 H new ATOM 0 HE1 TRP B 77 -8.843 -8.273 -8.115 1.00 0.53 H new ATOM 0 HE3 TRP B 77 -5.265 -11.831 -6.267 1.00 0.47 H new ATOM 0 HZ2 TRP B 77 -9.755 -10.938 -8.237 1.00 0.56 H new ATOM 0 HZ3 TRP B 77 -6.830 -13.673 -6.733 1.00 0.53 H new ATOM 0 HH2 TRP B 77 -9.045 -13.232 -7.708 1.00 0.56 H new ATOM 2813 N ARG B 78 -6.728 -6.627 -4.846 1.00 0.43 N ATOM 2814 CA ARG B 78 -7.529 -5.442 -4.987 1.00 0.47 C ATOM 2815 C ARG B 78 -6.990 -4.348 -4.080 1.00 0.49 C ATOM 2816 O ARG B 78 -7.138 -3.168 -4.381 1.00 0.62 O ATOM 2817 CB ARG B 78 -8.998 -5.753 -4.691 1.00 0.50 C ATOM 2818 CG ARG B 78 -9.584 -6.780 -5.636 1.00 0.61 C ATOM 2819 CD ARG B 78 -10.144 -6.142 -6.899 1.00 0.77 C ATOM 2820 NE ARG B 78 -9.103 -5.546 -7.732 1.00 1.49 N ATOM 2821 CZ ARG B 78 -9.336 -4.606 -8.642 1.00 1.76 C ATOM 2822 NH1 ARG B 78 -10.569 -4.160 -8.839 1.00 1.37 N ATOM 2823 NH2 ARG B 78 -8.335 -4.114 -9.359 1.00 2.83 N ATOM 0 H ARG B 78 -7.212 -7.419 -4.422 1.00 0.43 H new ATOM 0 HA ARG B 78 -7.474 -5.085 -6.016 1.00 0.47 H new ATOM 0 HB2 ARG B 78 -9.088 -6.115 -3.667 1.00 0.50 H new ATOM 0 HB3 ARG B 78 -9.579 -4.833 -4.756 1.00 0.50 H new ATOM 0 HG2 ARG B 78 -8.815 -7.504 -5.906 1.00 0.61 H new ATOM 0 HG3 ARG B 78 -10.375 -7.331 -5.127 1.00 0.61 H new ATOM 0 HD2 ARG B 78 -10.680 -6.896 -7.476 1.00 0.77 H new ATOM 0 HD3 ARG B 78 -10.869 -5.376 -6.625 1.00 0.77 H new ATOM 0 HE ARG B 78 -8.144 -5.869 -7.608 1.00 1.49 H new ATOM 0 HH11 ARG B 78 -11.342 -4.538 -8.291 1.00 1.37 H new ATOM 0 HH12 ARG B 78 -10.745 -3.438 -9.538 1.00 1.37 H new ATOM 0 HH21 ARG B 78 -7.386 -4.457 -9.212 1.00 2.83 H new ATOM 0 HH22 ARG B 78 -8.514 -3.393 -10.057 1.00 2.83 H new ATOM 2837 N LEU B 79 -6.338 -4.743 -2.975 1.00 0.42 N ATOM 2838 CA LEU B 79 -5.748 -3.774 -2.065 1.00 0.45 C ATOM 2839 C LEU B 79 -4.444 -3.260 -2.655 1.00 0.46 C ATOM 2840 O LEU B 79 -3.919 -2.233 -2.225 1.00 0.53 O ATOM 2841 CB LEU B 79 -5.431 -4.358 -0.673 1.00 0.53 C ATOM 2842 CG LEU B 79 -6.085 -5.683 -0.251 1.00 0.62 C ATOM 2843 CD1 LEU B 79 -5.006 -6.657 0.216 1.00 1.23 C ATOM 2844 CD2 LEU B 79 -7.073 -5.443 0.880 1.00 0.88 C ATOM 0 H LEU B 79 -6.212 -5.717 -2.700 1.00 0.42 H new ATOM 0 HA LEU B 79 -6.485 -2.981 -1.940 1.00 0.45 H new ATOM 0 HB2 LEU B 79 -4.351 -4.490 -0.611 1.00 0.53 H new ATOM 0 HB3 LEU B 79 -5.703 -3.607 0.068 1.00 0.53 H new ATOM 0 HG LEU B 79 -6.617 -6.104 -1.104 1.00 0.62 H new ATOM 0 HD11 LEU B 79 -5.469 -7.597 0.515 1.00 1.23 H new ATOM 0 HD12 LEU B 79 -4.305 -6.841 -0.598 1.00 1.23 H new ATOM 0 HD13 LEU B 79 -4.472 -6.229 1.065 1.00 1.23 H new ATOM 0 HD21 LEU B 79 -7.530 -6.389 1.171 1.00 0.88 H new ATOM 0 HD22 LEU B 79 -6.550 -5.015 1.735 1.00 0.88 H new ATOM 0 HD23 LEU B 79 -7.848 -4.753 0.546 1.00 0.88 H new ATOM 2856 N ILE B 80 -3.921 -3.980 -3.643 1.00 0.44 N ATOM 2857 CA ILE B 80 -2.670 -3.615 -4.271 1.00 0.48 C ATOM 2858 C ILE B 80 -2.639 -2.114 -4.605 1.00 0.48 C ATOM 2859 O ILE B 80 -1.726 -1.401 -4.191 1.00 0.51 O ATOM 2860 CB ILE B 80 -2.406 -4.510 -5.518 1.00 0.52 C ATOM 2861 CG1 ILE B 80 -0.902 -4.673 -5.736 1.00 0.59 C ATOM 2862 CG2 ILE B 80 -3.062 -3.952 -6.777 1.00 0.55 C ATOM 2863 CD1 ILE B 80 -0.555 -5.566 -6.907 1.00 1.16 C ATOM 0 H ILE B 80 -4.352 -4.823 -4.023 1.00 0.44 H new ATOM 0 HA ILE B 80 -1.857 -3.794 -3.568 1.00 0.48 H new ATOM 0 HB ILE B 80 -2.855 -5.484 -5.323 1.00 0.52 H new ATOM 0 HG12 ILE B 80 -0.457 -3.691 -5.894 1.00 0.59 H new ATOM 0 HG13 ILE B 80 -0.454 -5.084 -4.831 1.00 0.59 H new ATOM 0 HG21 ILE B 80 -2.850 -4.610 -7.620 1.00 0.55 H new ATOM 0 HG22 ILE B 80 -4.140 -3.889 -6.628 1.00 0.55 H new ATOM 0 HG23 ILE B 80 -2.665 -2.958 -6.984 1.00 0.55 H new ATOM 0 HD11 ILE B 80 0.529 -5.636 -7.002 1.00 1.16 H new ATOM 0 HD12 ILE B 80 -0.970 -6.560 -6.742 1.00 1.16 H new ATOM 0 HD13 ILE B 80 -0.973 -5.146 -7.822 1.00 1.16 H new ATOM 2875 N GLY B 81 -3.638 -1.643 -5.348 1.00 0.47 N ATOM 2876 CA GLY B 81 -3.714 -0.231 -5.685 1.00 0.49 C ATOM 2877 C GLY B 81 -4.378 0.601 -4.593 1.00 0.43 C ATOM 2878 O GLY B 81 -4.488 1.821 -4.719 1.00 0.43 O ATOM 0 H GLY B 81 -4.396 -2.214 -5.723 1.00 0.47 H new ATOM 0 HA2 GLY B 81 -2.709 0.150 -5.865 1.00 0.49 H new ATOM 0 HA3 GLY B 81 -4.271 -0.113 -6.615 1.00 0.49 H new ATOM 2882 N GLU B 82 -4.823 -0.057 -3.519 1.00 0.42 N ATOM 2883 CA GLU B 82 -5.503 0.621 -2.423 1.00 0.39 C ATOM 2884 C GLU B 82 -4.535 1.289 -1.487 1.00 0.33 C ATOM 2885 O GLU B 82 -4.636 2.488 -1.226 1.00 0.34 O ATOM 2886 CB GLU B 82 -6.334 -0.361 -1.649 1.00 0.44 C ATOM 2887 CG GLU B 82 -7.509 -0.901 -2.438 1.00 0.46 C ATOM 2888 CD GLU B 82 -8.518 0.171 -2.798 1.00 0.72 C ATOM 2889 OE1 GLU B 82 -9.152 0.724 -1.875 1.00 1.48 O ATOM 2890 OE2 GLU B 82 -8.671 0.464 -4.003 1.00 1.39 O ATOM 0 H GLU B 82 -4.722 -1.064 -3.389 1.00 0.42 H new ATOM 0 HA GLU B 82 -6.138 1.390 -2.863 1.00 0.39 H new ATOM 0 HB2 GLU B 82 -5.703 -1.192 -1.334 1.00 0.44 H new ATOM 0 HB3 GLU B 82 -6.703 0.120 -0.743 1.00 0.44 H new ATOM 0 HG2 GLU B 82 -7.143 -1.370 -3.351 1.00 0.46 H new ATOM 0 HG3 GLU B 82 -8.004 -1.679 -1.857 1.00 0.46 H new ATOM 2897 N LEU B 83 -3.581 0.520 -0.979 1.00 0.34 N ATOM 2898 CA LEU B 83 -2.587 1.079 -0.085 1.00 0.35 C ATOM 2899 C LEU B 83 -1.879 2.227 -0.783 1.00 0.34 C ATOM 2900 O LEU B 83 -1.122 2.970 -0.167 1.00 0.41 O ATOM 2901 CB LEU B 83 -1.590 0.020 0.375 1.00 0.43 C ATOM 2902 CG LEU B 83 -2.156 -1.029 1.337 1.00 0.50 C ATOM 2903 CD1 LEU B 83 -3.130 -1.947 0.617 1.00 1.27 C ATOM 2904 CD2 LEU B 83 -1.032 -1.829 1.972 1.00 1.31 C ATOM 0 H LEU B 83 -3.478 -0.477 -1.169 1.00 0.34 H new ATOM 0 HA LEU B 83 -3.087 1.453 0.809 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -1.194 -0.490 -0.503 1.00 0.43 H new ATOM 0 HB3 LEU B 83 -0.750 0.519 0.859 1.00 0.43 H new ATOM 0 HG LEU B 83 -2.699 -0.513 2.129 1.00 0.50 H new ATOM 0 HD11 LEU B 83 -3.521 -2.685 1.318 1.00 1.27 H new ATOM 0 HD12 LEU B 83 -3.954 -1.359 0.213 1.00 1.27 H new ATOM 0 HD13 LEU B 83 -2.615 -2.457 -0.197 1.00 1.27 H new ATOM 0 HD21 LEU B 83 -1.452 -2.570 2.653 1.00 1.31 H new ATOM 0 HD22 LEU B 83 -0.460 -2.334 1.194 1.00 1.31 H new ATOM 0 HD23 LEU B 83 -0.376 -1.158 2.526 1.00 1.31 H new ATOM 2916 N ALA B 84 -2.072 2.327 -2.095 1.00 0.34 N ATOM 2917 CA ALA B 84 -1.517 3.430 -2.833 1.00 0.37 C ATOM 2918 C ALA B 84 -2.390 4.683 -2.688 1.00 0.41 C ATOM 2919 O ALA B 84 -1.876 5.800 -2.648 1.00 0.47 O ATOM 2920 CB ALA B 84 -1.357 3.064 -4.291 1.00 0.41 C ATOM 0 H ALA B 84 -2.604 1.660 -2.654 1.00 0.34 H new ATOM 0 HA ALA B 84 -0.533 3.653 -2.420 1.00 0.37 H new ATOM 0 HB1 ALA B 84 -0.936 3.910 -4.834 1.00 0.41 H new ATOM 0 HB2 ALA B 84 -0.689 2.207 -4.380 1.00 0.41 H new ATOM 0 HB3 ALA B 84 -2.330 2.811 -4.711 1.00 0.41 H new ATOM 2926 N LYS B 85 -3.720 4.497 -2.617 1.00 0.42 N ATOM 2927 CA LYS B 85 -4.653 5.627 -2.458 1.00 0.51 C ATOM 2928 C LYS B 85 -4.130 6.615 -1.439 1.00 0.50 C ATOM 2929 O LYS B 85 -4.369 7.817 -1.529 1.00 0.67 O ATOM 2930 CB LYS B 85 -6.045 5.139 -2.061 1.00 0.62 C ATOM 2931 CG LYS B 85 -6.946 4.823 -3.252 1.00 1.19 C ATOM 2932 CD LYS B 85 -7.830 3.599 -3.013 1.00 1.44 C ATOM 2933 CE LYS B 85 -8.327 3.515 -1.574 1.00 1.56 C ATOM 2934 NZ LYS B 85 -7.592 2.494 -0.785 1.00 2.69 N ATOM 0 H LYS B 85 -4.170 3.583 -2.667 1.00 0.42 H new ATOM 0 HA LYS B 85 -4.732 6.132 -3.421 1.00 0.51 H new ATOM 0 HB2 LYS B 85 -5.945 4.245 -1.445 1.00 0.62 H new ATOM 0 HB3 LYS B 85 -6.525 5.899 -1.445 1.00 0.62 H new ATOM 0 HG2 LYS B 85 -7.577 5.686 -3.464 1.00 1.19 H new ATOM 0 HG3 LYS B 85 -6.329 4.654 -4.135 1.00 1.19 H new ATOM 0 HD2 LYS B 85 -8.685 3.634 -3.689 1.00 1.44 H new ATOM 0 HD3 LYS B 85 -7.269 2.696 -3.254 1.00 1.44 H new ATOM 0 HE2 LYS B 85 -8.218 4.489 -1.096 1.00 1.56 H new ATOM 0 HE3 LYS B 85 -9.391 3.277 -1.572 1.00 1.56 H new ATOM 0 HZ1 LYS B 85 -7.489 2.822 0.197 1.00 2.69 H new ATOM 0 HZ2 LYS B 85 -8.121 1.599 -0.797 1.00 2.69 H new ATOM 0 HZ3 LYS B 85 -6.650 2.345 -1.201 1.00 2.69 H new ATOM 2948 N GLU B 86 -3.423 6.084 -0.471 1.00 0.44 N ATOM 2949 CA GLU B 86 -2.823 6.896 0.572 1.00 0.45 C ATOM 2950 C GLU B 86 -1.496 7.481 0.096 1.00 0.44 C ATOM 2951 O GLU B 86 -1.205 8.655 0.315 1.00 0.48 O ATOM 2952 CB GLU B 86 -2.610 6.065 1.845 1.00 0.48 C ATOM 2953 CG GLU B 86 -1.915 4.742 1.591 1.00 0.98 C ATOM 2954 CD GLU B 86 -1.617 3.960 2.855 1.00 2.07 C ATOM 2955 OE1 GLU B 86 -0.775 4.416 3.650 1.00 2.90 O ATOM 2956 OE2 GLU B 86 -2.216 2.882 3.037 1.00 2.60 O ATOM 0 H GLU B 86 -3.245 5.084 -0.380 1.00 0.44 H new ATOM 0 HA GLU B 86 -3.503 7.716 0.802 1.00 0.45 H new ATOM 0 HB2 GLU B 86 -2.021 6.646 2.555 1.00 0.48 H new ATOM 0 HB3 GLU B 86 -3.576 5.875 2.312 1.00 0.48 H new ATOM 0 HG2 GLU B 86 -2.539 4.134 0.936 1.00 0.98 H new ATOM 0 HG3 GLU B 86 -0.981 4.928 1.060 1.00 0.98 H new ATOM 2963 N VAL B 87 -0.707 6.653 -0.582 1.00 0.44 N ATOM 2964 CA VAL B 87 0.605 7.060 -1.069 1.00 0.46 C ATOM 2965 C VAL B 87 0.536 7.862 -2.377 1.00 0.46 C ATOM 2966 O VAL B 87 1.552 8.372 -2.847 1.00 0.54 O ATOM 2967 CB VAL B 87 1.526 5.826 -1.244 1.00 0.55 C ATOM 2968 CG1 VAL B 87 2.813 6.199 -1.955 1.00 1.01 C ATOM 2969 CG2 VAL B 87 1.824 5.205 0.113 1.00 0.81 C ATOM 0 H VAL B 87 -0.957 5.690 -0.807 1.00 0.44 H new ATOM 0 HA VAL B 87 1.026 7.723 -0.313 1.00 0.46 H new ATOM 0 HB VAL B 87 1.007 5.094 -1.863 1.00 0.55 H new ATOM 0 HG11 VAL B 87 3.439 5.313 -2.063 1.00 1.01 H new ATOM 0 HG12 VAL B 87 2.581 6.602 -2.941 1.00 1.01 H new ATOM 0 HG13 VAL B 87 3.346 6.951 -1.372 1.00 1.01 H new ATOM 0 HG21 VAL B 87 2.472 4.338 -0.018 1.00 0.81 H new ATOM 0 HG22 VAL B 87 2.323 5.938 0.747 1.00 0.81 H new ATOM 0 HG23 VAL B 87 0.891 4.893 0.583 1.00 0.81 H new ATOM 2979 N ARG B 88 -0.650 7.994 -2.953 1.00 0.49 N ATOM 2980 CA ARG B 88 -0.796 8.720 -4.214 1.00 0.51 C ATOM 2981 C ARG B 88 -0.712 10.231 -4.026 1.00 0.50 C ATOM 2982 O ARG B 88 0.073 10.902 -4.693 1.00 0.58 O ATOM 2983 CB ARG B 88 -2.116 8.346 -4.886 1.00 0.56 C ATOM 2984 CG ARG B 88 -2.258 8.902 -6.292 1.00 0.67 C ATOM 2985 CD ARG B 88 -3.538 8.423 -6.957 1.00 1.33 C ATOM 2986 NE ARG B 88 -3.661 8.920 -8.324 1.00 1.83 N ATOM 2987 CZ ARG B 88 -4.634 8.560 -9.154 1.00 2.72 C ATOM 2988 NH1 ARG B 88 -5.563 7.700 -8.757 1.00 3.25 N ATOM 2989 NH2 ARG B 88 -4.678 9.057 -10.382 1.00 3.50 N ATOM 0 H ARG B 88 -1.518 7.614 -2.576 1.00 0.49 H new ATOM 0 HA ARG B 88 0.036 8.427 -4.854 1.00 0.51 H new ATOM 0 HB2 ARG B 88 -2.201 7.260 -4.923 1.00 0.56 H new ATOM 0 HB3 ARG B 88 -2.942 8.710 -4.275 1.00 0.56 H new ATOM 0 HG2 ARG B 88 -2.252 9.991 -6.255 1.00 0.67 H new ATOM 0 HG3 ARG B 88 -1.400 8.599 -6.892 1.00 0.67 H new ATOM 0 HD2 ARG B 88 -3.557 7.333 -6.964 1.00 1.33 H new ATOM 0 HD3 ARG B 88 -4.396 8.753 -6.372 1.00 1.33 H new ATOM 0 HE ARG B 88 -2.961 9.581 -8.661 1.00 1.83 H new ATOM 0 HH11 ARG B 88 -5.531 7.314 -7.813 1.00 3.25 H new ATOM 0 HH12 ARG B 88 -6.309 7.425 -9.395 1.00 3.25 H new ATOM 0 HH21 ARG B 88 -3.964 9.717 -10.691 1.00 3.50 H new ATOM 0 HH22 ARG B 88 -5.426 8.780 -11.018 1.00 3.50 H new ATOM 3003 N LYS B 89 -1.518 10.761 -3.123 1.00 0.47 N ATOM 3004 CA LYS B 89 -1.531 12.197 -2.864 1.00 0.49 C ATOM 3005 C LYS B 89 -0.403 12.560 -1.936 1.00 0.48 C ATOM 3006 O LYS B 89 0.188 13.635 -2.024 1.00 0.53 O ATOM 3007 CB LYS B 89 -2.847 12.634 -2.239 1.00 0.56 C ATOM 3008 CG LYS B 89 -3.246 11.832 -0.996 1.00 0.69 C ATOM 3009 CD LYS B 89 -4.044 10.545 -1.286 1.00 1.55 C ATOM 3010 CE LYS B 89 -4.559 10.379 -2.732 1.00 2.46 C ATOM 3011 NZ LYS B 89 -5.486 11.459 -3.165 1.00 3.29 N ATOM 0 H LYS B 89 -2.173 10.223 -2.555 1.00 0.47 H new ATOM 0 HA LYS B 89 -1.411 12.709 -3.819 1.00 0.49 H new ATOM 0 HB2 LYS B 89 -2.777 13.688 -1.971 1.00 0.56 H new ATOM 0 HB3 LYS B 89 -3.638 12.546 -2.984 1.00 0.56 H new ATOM 0 HG2 LYS B 89 -2.343 11.567 -0.447 1.00 0.69 H new ATOM 0 HG3 LYS B 89 -3.840 12.472 -0.343 1.00 0.69 H new ATOM 0 HD2 LYS B 89 -3.414 9.689 -1.045 1.00 1.55 H new ATOM 0 HD3 LYS B 89 -4.899 10.512 -0.611 1.00 1.55 H new ATOM 0 HE2 LYS B 89 -3.707 10.350 -3.411 1.00 2.46 H new ATOM 0 HE3 LYS B 89 -5.068 9.419 -2.819 1.00 2.46 H new ATOM 0 HZ1 LYS B 89 -6.434 11.061 -3.320 1.00 3.29 H new ATOM 0 HZ2 LYS B 89 -5.534 12.191 -2.428 1.00 3.29 H new ATOM 0 HZ3 LYS B 89 -5.138 11.881 -4.050 1.00 3.29 H new ATOM 3025 N GLU B 90 -0.123 11.641 -1.038 1.00 0.47 N ATOM 3026 CA GLU B 90 0.932 11.808 -0.078 1.00 0.52 C ATOM 3027 C GLU B 90 2.267 12.013 -0.786 1.00 0.56 C ATOM 3028 O GLU B 90 3.237 12.468 -0.180 1.00 0.62 O ATOM 3029 CB GLU B 90 0.946 10.589 0.825 1.00 0.56 C ATOM 3030 CG GLU B 90 -0.171 10.612 1.847 1.00 0.62 C ATOM 3031 CD GLU B 90 -0.107 9.442 2.814 1.00 1.24 C ATOM 3032 OE1 GLU B 90 0.789 9.441 3.684 1.00 1.93 O ATOM 3033 OE2 GLU B 90 -0.950 8.529 2.703 1.00 1.93 O ATOM 0 H GLU B 90 -0.625 10.757 -0.958 1.00 0.47 H new ATOM 0 HA GLU B 90 0.762 12.697 0.530 1.00 0.52 H new ATOM 0 HB2 GLU B 90 0.859 9.689 0.216 1.00 0.56 H new ATOM 0 HB3 GLU B 90 1.905 10.534 1.341 1.00 0.56 H new ATOM 0 HG2 GLU B 90 -0.124 11.545 2.409 1.00 0.62 H new ATOM 0 HG3 GLU B 90 -1.131 10.599 1.330 1.00 0.62 H new ATOM 3040 N LYS B 91 2.314 11.668 -2.077 1.00 0.54 N ATOM 3041 CA LYS B 91 3.517 11.856 -2.865 1.00 0.61 C ATOM 3042 C LYS B 91 3.912 13.328 -2.858 1.00 0.63 C ATOM 3043 O LYS B 91 5.073 13.676 -2.645 1.00 0.70 O ATOM 3044 CB LYS B 91 3.308 11.361 -4.301 1.00 0.62 C ATOM 3045 CG LYS B 91 2.532 12.321 -5.192 1.00 0.61 C ATOM 3046 CD LYS B 91 2.369 11.760 -6.595 1.00 0.67 C ATOM 3047 CE LYS B 91 1.685 12.755 -7.518 1.00 0.70 C ATOM 3048 NZ LYS B 91 1.544 12.221 -8.902 1.00 1.38 N ATOM 0 H LYS B 91 1.532 11.259 -2.589 1.00 0.54 H new ATOM 0 HA LYS B 91 4.323 11.271 -2.422 1.00 0.61 H new ATOM 0 HB2 LYS B 91 4.282 11.173 -4.753 1.00 0.62 H new ATOM 0 HB3 LYS B 91 2.781 10.407 -4.270 1.00 0.62 H new ATOM 0 HG2 LYS B 91 1.551 12.511 -4.758 1.00 0.61 H new ATOM 0 HG3 LYS B 91 3.051 13.278 -5.238 1.00 0.61 H new ATOM 0 HD2 LYS B 91 3.347 11.500 -7.000 1.00 0.67 H new ATOM 0 HD3 LYS B 91 1.786 10.840 -6.554 1.00 0.67 H new ATOM 0 HE2 LYS B 91 0.700 13.001 -7.121 1.00 0.70 H new ATOM 0 HE3 LYS B 91 2.259 13.681 -7.543 1.00 0.70 H new ATOM 0 HZ1 LYS B 91 1.073 12.929 -9.501 1.00 1.38 H new ATOM 0 HZ2 LYS B 91 2.485 12.010 -9.290 1.00 1.38 H new ATOM 0 HZ3 LYS B 91 0.975 11.351 -8.882 1.00 1.38 H new ATOM 3062 N ALA B 92 2.924 14.183 -3.095 1.00 0.60 N ATOM 3063 CA ALA B 92 3.145 15.627 -3.118 1.00 0.65 C ATOM 3064 C ALA B 92 3.167 16.230 -1.719 1.00 0.63 C ATOM 3065 O ALA B 92 3.742 17.297 -1.514 1.00 0.69 O ATOM 3066 CB ALA B 92 2.088 16.311 -3.972 1.00 0.73 C ATOM 0 H ALA B 92 1.960 13.902 -3.274 1.00 0.60 H new ATOM 0 HA ALA B 92 4.128 15.796 -3.558 1.00 0.65 H new ATOM 0 HB1 ALA B 92 2.266 17.386 -3.979 1.00 0.73 H new ATOM 0 HB2 ALA B 92 2.140 15.928 -4.991 1.00 0.73 H new ATOM 0 HB3 ALA B 92 1.100 16.110 -3.558 1.00 0.73 H new ATOM 3072 N LEU B 93 2.522 15.579 -0.759 1.00 0.62 N ATOM 3073 CA LEU B 93 2.524 16.095 0.602 1.00 0.65 C ATOM 3074 C LEU B 93 3.813 15.714 1.309 1.00 0.59 C ATOM 3075 O LEU B 93 4.268 16.411 2.215 1.00 0.63 O ATOM 3076 CB LEU B 93 1.331 15.596 1.408 1.00 0.74 C ATOM 3077 CG LEU B 93 1.084 16.391 2.688 1.00 0.81 C ATOM 3078 CD1 LEU B 93 -0.216 17.173 2.588 1.00 1.03 C ATOM 3079 CD2 LEU B 93 1.070 15.473 3.902 1.00 0.95 C ATOM 0 H LEU B 93 2.002 14.712 -0.893 1.00 0.62 H new ATOM 0 HA LEU B 93 2.449 17.180 0.533 1.00 0.65 H new ATOM 0 HB2 LEU B 93 0.438 15.640 0.785 1.00 0.74 H new ATOM 0 HB3 LEU B 93 1.489 14.549 1.665 1.00 0.74 H new ATOM 0 HG LEU B 93 1.902 17.101 2.812 1.00 0.81 H new ATOM 0 HD11 LEU B 93 -0.375 17.733 3.509 1.00 1.03 H new ATOM 0 HD12 LEU B 93 -0.161 17.865 1.747 1.00 1.03 H new ATOM 0 HD13 LEU B 93 -1.045 16.482 2.435 1.00 1.03 H new ATOM 0 HD21 LEU B 93 0.892 16.062 4.802 1.00 0.95 H new ATOM 0 HD22 LEU B 93 0.277 14.734 3.790 1.00 0.95 H new ATOM 0 HD23 LEU B 93 2.031 14.965 3.985 1.00 0.95 H new ATOM 3091 N GLY B 94 4.399 14.595 0.889 1.00 0.53 N ATOM 3092 CA GLY B 94 5.641 14.138 1.481 1.00 0.51 C ATOM 3093 C GLY B 94 6.636 15.261 1.651 1.00 0.52 C ATOM 3094 O GLY B 94 7.343 15.337 2.655 1.00 0.57 O ATOM 0 H GLY B 94 4.033 13.997 0.148 1.00 0.53 H new ATOM 0 HA2 GLY B 94 5.435 13.687 2.452 1.00 0.51 H new ATOM 0 HA3 GLY B 94 6.076 13.360 0.854 1.00 0.51 H new ATOM 3098 N ILE B 95 6.686 16.133 0.651 1.00 0.53 N ATOM 3099 CA ILE B 95 7.609 17.249 0.653 1.00 0.57 C ATOM 3100 C ILE B 95 7.257 18.276 1.698 1.00 0.60 C ATOM 3101 O ILE B 95 7.001 19.440 1.384 1.00 0.67 O ATOM 3102 CB ILE B 95 7.676 17.931 -0.720 1.00 0.63 C ATOM 3103 CG1 ILE B 95 6.278 18.250 -1.243 1.00 1.32 C ATOM 3104 CG2 ILE B 95 8.408 17.040 -1.673 1.00 1.13 C ATOM 3105 CD1 ILE B 95 6.253 19.358 -2.274 1.00 1.68 C ATOM 0 H ILE B 95 6.091 16.083 -0.176 1.00 0.53 H new ATOM 0 HA ILE B 95 8.586 16.829 0.892 1.00 0.57 H new ATOM 0 HB ILE B 95 8.211 18.876 -0.623 1.00 0.63 H new ATOM 0 HG12 ILE B 95 5.849 17.349 -1.681 1.00 1.32 H new ATOM 0 HG13 ILE B 95 5.641 18.532 -0.404 1.00 1.32 H new ATOM 0 HG21 ILE B 95 8.460 17.518 -2.651 1.00 1.13 H new ATOM 0 HG22 ILE B 95 9.417 16.862 -1.302 1.00 1.13 H new ATOM 0 HG23 ILE B 95 7.881 16.090 -1.761 1.00 1.13 H new ATOM 0 HD11 ILE B 95 5.227 19.529 -2.599 1.00 1.68 H new ATOM 0 HD12 ILE B 95 6.652 20.273 -1.835 1.00 1.68 H new ATOM 0 HD13 ILE B 95 6.862 19.071 -3.131 1.00 1.68 H new ATOM 3117 N ARG B 96 7.240 17.848 2.946 1.00 0.64 N ATOM 3118 CA ARG B 96 6.957 18.753 4.026 1.00 0.74 C ATOM 3119 C ARG B 96 8.048 19.811 4.078 1.00 0.82 C ATOM 3120 O ARG B 96 7.864 20.883 4.654 1.00 0.93 O ATOM 3121 CB ARG B 96 6.834 17.991 5.337 1.00 0.84 C ATOM 3122 CG ARG B 96 5.519 17.241 5.432 1.00 1.65 C ATOM 3123 CD ARG B 96 5.720 15.737 5.427 1.00 2.45 C ATOM 3124 NE ARG B 96 4.474 15.026 5.701 1.00 2.91 N ATOM 3125 CZ ARG B 96 4.369 13.702 5.722 1.00 3.85 C ATOM 3126 NH1 ARG B 96 5.431 12.948 5.477 1.00 4.47 N ATOM 3127 NH2 ARG B 96 3.202 13.132 5.987 1.00 4.48 N ATOM 0 H ARG B 96 7.418 16.884 3.229 1.00 0.64 H new ATOM 0 HA ARG B 96 6.002 19.251 3.860 1.00 0.74 H new ATOM 0 HB2 ARG B 96 7.661 17.287 5.427 1.00 0.84 H new ATOM 0 HB3 ARG B 96 6.916 18.688 6.171 1.00 0.84 H new ATOM 0 HG2 ARG B 96 5.000 17.534 6.344 1.00 1.65 H new ATOM 0 HG3 ARG B 96 4.879 17.524 4.596 1.00 1.65 H new ATOM 0 HD2 ARG B 96 6.112 15.425 4.459 1.00 2.45 H new ATOM 0 HD3 ARG B 96 6.466 15.467 6.175 1.00 2.45 H new ATOM 0 HE ARG B 96 3.636 15.578 5.887 1.00 2.91 H new ATOM 0 HH11 ARG B 96 6.330 13.384 5.272 1.00 4.47 H new ATOM 0 HH12 ARG B 96 5.349 11.931 5.493 1.00 4.47 H new ATOM 0 HH21 ARG B 96 2.383 13.710 6.175 1.00 4.48 H new ATOM 0 HH22 ARG B 96 3.123 12.115 6.003 1.00 4.48 H new ATOM 3141 N LYS B 97 9.195 19.499 3.461 1.00 0.82 N ATOM 3142 CA LYS B 97 10.287 20.448 3.389 1.00 0.94 C ATOM 3143 C LYS B 97 10.139 21.256 2.110 1.00 0.93 C ATOM 3144 O LYS B 97 10.763 20.959 1.092 1.00 0.98 O ATOM 3145 CB LYS B 97 11.671 19.766 3.441 1.00 1.07 C ATOM 3146 CG LYS B 97 11.650 18.245 3.324 1.00 1.00 C ATOM 3147 CD LYS B 97 11.064 17.594 4.564 1.00 1.56 C ATOM 3148 CE LYS B 97 10.405 16.267 4.231 1.00 1.83 C ATOM 3149 NZ LYS B 97 10.205 15.426 5.444 1.00 2.90 N ATOM 0 H LYS B 97 9.380 18.602 3.012 1.00 0.82 H new ATOM 0 HA LYS B 97 10.235 21.099 4.262 1.00 0.94 H new ATOM 0 HB2 LYS B 97 12.287 20.168 2.636 1.00 1.07 H new ATOM 0 HB3 LYS B 97 12.156 20.036 4.379 1.00 1.07 H new ATOM 0 HG2 LYS B 97 11.066 17.955 2.450 1.00 1.00 H new ATOM 0 HG3 LYS B 97 12.664 17.878 3.165 1.00 1.00 H new ATOM 0 HD2 LYS B 97 11.851 17.437 5.301 1.00 1.56 H new ATOM 0 HD3 LYS B 97 10.332 18.263 5.017 1.00 1.56 H new ATOM 0 HE2 LYS B 97 9.442 16.450 3.753 1.00 1.83 H new ATOM 0 HE3 LYS B 97 11.020 15.726 3.512 1.00 1.83 H new ATOM 0 HZ1 LYS B 97 9.847 14.491 5.163 1.00 2.90 H new ATOM 0 HZ2 LYS B 97 11.111 15.315 5.943 1.00 2.90 H new ATOM 0 HZ3 LYS B 97 9.517 15.885 6.075 1.00 2.90 H new ATOM 3163 N LYS B 98 9.293 22.280 2.177 1.00 0.96 N ATOM 3164 CA LYS B 98 9.031 23.137 1.030 1.00 1.06 C ATOM 3165 C LYS B 98 9.740 24.478 1.182 1.00 1.21 C ATOM 3166 O LYS B 98 10.893 24.593 0.715 1.00 1.61 O ATOM 3167 CB LYS B 98 7.522 23.359 0.871 1.00 1.07 C ATOM 3168 CG LYS B 98 6.704 22.074 0.820 1.00 1.07 C ATOM 3169 CD LYS B 98 5.281 22.345 0.352 1.00 1.52 C ATOM 3170 CE LYS B 98 4.445 21.075 0.329 1.00 2.00 C ATOM 3171 NZ LYS B 98 3.057 21.334 -0.144 1.00 2.73 N ATOM 3172 OXT LYS B 98 9.136 25.402 1.765 1.00 1.70 O ATOM 0 H LYS B 98 8.776 22.535 3.018 1.00 0.96 H new ATOM 0 HA LYS B 98 9.416 22.642 0.139 1.00 1.06 H new ATOM 0 HB2 LYS B 98 7.167 23.970 1.701 1.00 1.07 H new ATOM 0 HB3 LYS B 98 7.344 23.927 -0.042 1.00 1.07 H new ATOM 0 HG2 LYS B 98 7.182 21.362 0.147 1.00 1.07 H new ATOM 0 HG3 LYS B 98 6.683 21.614 1.808 1.00 1.07 H new ATOM 0 HD2 LYS B 98 4.814 23.076 1.012 1.00 1.52 H new ATOM 0 HD3 LYS B 98 5.303 22.784 -0.645 1.00 1.52 H new ATOM 0 HE2 LYS B 98 4.919 20.340 -0.321 1.00 2.00 H new ATOM 0 HE3 LYS B 98 4.413 20.643 1.329 1.00 2.00 H new ATOM 0 HZ1 LYS B 98 2.519 20.444 -0.145 1.00 2.73 H new ATOM 0 HZ2 LYS B 98 2.596 22.016 0.491 1.00 2.73 H new ATOM 0 HZ3 LYS B 98 3.086 21.723 -1.108 1.00 2.73 H new TER 3186 LYS B 98